data_2jox_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 2jox _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.831 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.21 -35.04 1.1 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 126.831 2.158 . . . . 0.0 111.403 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.57 -17.77 65.0 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 117.978 0.889 . . . . 0.0 109.955 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.445 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 66.8 m -61.51 -27.97 68.98 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.053 1.741 . . . . 0.0 112.62 174.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.3 m -110.9 140.22 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.499 1.12 . . . . 0.0 111.578 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.16 -42.23 93.95 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 120.847 -1.158 . . . . 0.0 110.426 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -131.88 142.0 49.55 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.998 1.719 . . . . 0.0 109.69 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.06 124.66 29.38 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.004 0.922 . . . . 0.0 109.273 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 46.64 60.02 15.23 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 124.776 1.23 . . . . 0.0 113.248 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -62.86 145.27 94.59 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.302 2.668 . . . . 0.0 111.512 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -77.29 144.65 37.97 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.577 -1.327 . . . . 0.0 109.408 175.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -116.16 28.87 8.32 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -176.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.48 12.15 12.26 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 126.227 1.87 . . . . 0.0 116.378 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 121.22 -3.53 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.139 1 C-N-CA 132.776 4.43 . . . . 0.0 115.528 178.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.4 m -65.18 117.72 8.18 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.922 -1.111 . . . . 0.0 112.788 -176.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.9 m -123.18 109.59 14.19 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.868 1.267 . . . . 0.0 110.226 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.38 149.55 42.81 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.931 1.692 . . . . 0.0 113.93 -175.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.53 1.93 38.55 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.425 2.29 . . . . 0.0 112.726 175.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -141.38 158.97 43.17 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.349 1.46 . . . . 0.0 113.202 -177.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.88 -176.0 35.84 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.273 1.416 . . . . 0.0 115.987 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.5 m -146.01 122.5 11.04 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.873 2.469 . . . . 0.0 108.425 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -74.94 76.51 2.17 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.2 mt -51.77 -29.48 19.02 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.0 mt -70.19 -20.22 63.13 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.398 1.079 . . . . 0.0 113.229 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -101.68 -32.27 10.4 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.98 0.912 . . . . 0.0 110.35 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -66.17 109.71 2.73 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.141 0.495 . . . . 0.0 109.801 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.1 p -89.2 4.29 49.12 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.314 1.045 . . . . 0.0 112.199 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.12 149.82 26.25 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.526 1.536 . . . . 0.0 109.813 -175.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.445 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.5 t -53.62 167.82 0.21 Allowed 'General case' 0 C--O 1.239 0.509 0 C-N-CA 125.532 1.533 . . . . 0.0 114.218 -177.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.59 -11.56 6.74 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.277 1.031 . . . . 0.0 112.168 172.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.8 t -74.19 -35.39 40.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 119.735 1.152 . . . . 0.0 109.071 171.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 p -131.98 -14.76 3.06 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 116.505 2.039 . . . . 0.0 116.505 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 80.09 17.74 0.68 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -87.97 144.12 26.72 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 119.667 -1.895 . . . . 0.0 113.39 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -118.31 160.78 21.05 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.715 1.606 . . . . 0.0 110.206 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.265 4.0 p30 52.28 26.56 4.1 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.531 1.932 . . . . 0.0 115.023 -176.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -121.75 98.71 6.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 128.565 2.746 . . . . 0.0 111.143 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.75 150.92 19.57 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.45 165.98 18.78 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 131.364 3.866 . . . . 0.0 109.092 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.3 mt -128.58 134.8 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 125.92 1.688 . . . . 0.0 106.876 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.41 172.41 13.97 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.285 0.634 . . . . 0.0 111.778 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER 58.58 14.43 3.06 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.462 2.305 . . . . 0.0 115.151 178.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -51.72 112.06 0.7 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.839 2.055 . . . . 0.0 113.217 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.0 m -107.46 156.04 19.39 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.429 1.492 . . . . 0.0 112.13 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.17 137.85 34.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.679 1.591 . . . . 0.0 110.035 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -131.84 146.65 52.25 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 126.473 1.909 . . . . 0.0 111.029 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -138.5 116.27 11.49 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.865 0.364 . . . . 0.0 110.745 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -118.93 121.4 39.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.349 1.46 . . . . 0.0 113.247 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.2 t70 45.6 20.89 0.07 Allowed 'General case' 0 CA--C 1.559 1.293 0 N-CA-C 118.37 2.73 . . . . 0.0 118.37 172.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.69 -21.06 9.88 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.196 1.855 . . . . 0.0 113.203 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -75.03 136.95 41.2 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.015 1.326 . . . . 0.0 108.951 174.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -118.06 129.78 55.77 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.725 1.61 . . . . 0.0 108.554 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.0 139.33 50.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 123.865 0.866 . . . . 0.0 109.44 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.49 118.18 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 124.844 1.258 . . . . 0.0 108.887 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.0 p -122.08 135.07 54.77 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.505 0.722 . . . . 0.0 112.049 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -153.55 -170.8 3.7 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.67 158.13 44.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.16 1.384 . . . . 0.0 108.68 -178.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -112.78 141.32 46.72 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.082 1.353 . . . . 0.0 108.176 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.5 134.51 45.1 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.758 1.223 . . . . 0.0 110.896 -175.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.4 t -59.75 122.61 14.61 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.499 1.12 . . . . 0.0 110.738 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -62.23 -13.26 26.15 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 120.055 -1.653 . . . . 0.0 111.685 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -95.53 -65.8 0.95 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.712 1.205 . . . . 0.0 112.082 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.1 p -95.64 -5.25 42.85 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.303 73.0 m80 53.35 20.53 1.99 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.43 1.892 . . . . 0.0 115.226 -177.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.35 146.63 53.08 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 170.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.1 t -75.81 104.87 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 121.556 -0.715 . . . . 0.0 109.858 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.8 mt -61.75 -46.28 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.617 1.567 . . . . 0.0 111.315 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.84 168.59 21.1 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.573 1.149 . . . . 0.0 112.642 -175.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -117.04 140.06 49.94 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.952 1.701 . . . . 0.0 109.194 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.06 139.14 54.39 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.139 1.776 . . . . 0.0 112.614 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -140.17 131.27 26.36 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.552 1.141 . . . . 0.0 108.945 174.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -130.3 126.64 37.7 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 173.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.04 135.86 49.5 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -128.49 127.37 42.31 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.239 1.016 . . . . 0.0 110.021 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.92 142.89 51.13 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.524 1.93 . . . . 0.0 113.588 -176.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.9 mt -109.91 121.99 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 O-C-N 121.047 -1.033 . . . . 0.0 109.843 174.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.0 ptp -119.41 115.72 24.66 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.62 1.168 . . . . 0.0 113.508 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 50.11 -73.17 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 128.206 2.602 . . . . 0.0 116.916 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -131.75 7.23 4.41 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.922 2.089 . . . . 0.0 112.27 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -132.39 170.43 15.11 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 120.771 -1.206 . . . . 0.0 109.766 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -123.0 143.46 49.91 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 125.045 1.338 . . . . 0.0 109.25 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -121.55 131.04 53.91 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 126.9 2.08 . . . . 0.0 109.654 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -122.38 129.96 52.63 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 124.981 1.312 . . . . 0.0 109.079 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.94 142.66 36.39 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.927 0.87 . . . . 0.0 109.065 177.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.0 ttp -137.72 145.92 43.09 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 125.782 1.633 . . . . 0.0 109.362 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.51 105.2 3.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.374 1.87 . . . . 0.0 110.223 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.5 t -142.17 136.58 30.12 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 126.162 1.785 . . . . 0.0 110.035 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 tp -58.86 -34.28 71.42 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.166 0.986 . . . . 0.0 111.781 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.2 tp -96.09 -63.93 1.1 Allowed 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.049 1.34 . . . . 0.0 111.22 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 70.3 m -64.49 -36.5 84.4 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.167 0.987 . . . . 0.0 113.6 -172.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.99 174.0 13.63 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 117.899 1.92 . . . . 0.0 117.899 172.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -113.04 116.23 29.59 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.351 1.46 . . . . 0.0 110.027 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.7 157.3 44.5 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -149.47 138.89 21.52 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.349 1.06 . . . . 0.0 111.156 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -141.74 152.46 43.83 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.037 1.735 . . . . 0.0 111.616 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.32 134.36 37.86 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.733 -0.605 . . . . 0.0 110.579 174.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.1 mt -122.12 126.07 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.174 1.39 . . . . 0.0 110.721 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.469 0.489 0 O-C-N 121.642 -0.661 . . . . 0.0 109.76 174.536 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.83 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.14 -34.9 1.09 Allowed Glycine 0 CA--C 1.532 1.106 0 C-N-CA 126.843 2.163 . . . . 0.0 111.48 -176.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -66.86 -18.02 65.17 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.631 -0.923 . . . . 0.0 109.96 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 66.7 m -60.81 -28.91 69.14 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.873 1.669 . . . . 0.0 112.448 174.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.3 m -110.1 139.75 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.678 1.191 . . . . 0.0 111.895 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -64.77 -40.76 95.79 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.731 1.212 . . . . 0.0 110.641 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -133.81 141.72 47.56 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.013 2.125 . . . . 0.0 109.276 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -81.8 123.65 28.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.502 0.721 . . . . 0.0 109.116 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 47.17 59.97 15.73 Favored Pre-proline 0 N--CA 1.476 0.864 0 C-N-CA 124.7 1.2 . . . . 0.0 113.173 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -63.07 145.51 94.04 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.146 2.564 . . . . 0.0 111.495 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -77.73 143.7 37.82 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.568 -1.333 . . . . 0.0 109.444 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -115.99 30.86 7.08 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.95 12.33 10.77 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 126.17 1.843 . . . . 0.0 116.578 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 121.94 -3.73 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.092 1 C-N-CA 132.725 4.41 . . . . 0.0 115.614 178.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.5 m -64.75 116.98 6.83 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 120.904 -1.123 . . . . 0.0 112.731 -176.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.0 m -122.89 109.74 14.54 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.859 1.264 . . . . 0.0 110.212 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.26 149.33 43.03 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.989 1.716 . . . . 0.0 113.843 -175.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.17 0.89 38.45 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.313 2.245 . . . . 0.0 112.742 175.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -141.46 159.09 42.94 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.283 1.433 . . . . 0.0 113.205 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.92 -175.03 33.45 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.245 1.402 . . . . 0.0 115.956 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.8 m -146.53 122.28 10.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.844 2.457 . . . . 0.0 108.406 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -75.82 77.47 2.75 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.6 mt -51.5 -29.39 16.47 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 -177.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.1 mt -70.53 -19.99 62.86 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -101.34 -33.72 9.91 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.31 1.044 . . . . 0.0 109.498 174.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -65.63 109.42 2.39 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.653 -0.655 . . . . 0.0 110.097 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.9 p -90.57 6.64 42.85 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.208 1.003 . . . . 0.0 112.218 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.61 150.36 26.62 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.262 1.411 . . . . 0.0 109.798 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.448 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.6 t -53.36 168.7 0.14 Allowed 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.619 1.568 . . . . 0.0 114.255 -177.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.52 -11.63 6.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.227 171.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.3 t -74.14 -35.77 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 119.647 1.112 . . . . 0.0 109.026 171.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.3 p -131.35 -16.44 3.1 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.29 16.42 0.52 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -84.27 146.01 28.0 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 119.719 -1.863 . . . . 0.0 113.15 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -120.77 160.68 22.87 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.684 1.594 . . . . 0.0 110.117 175.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.26 26.66 4.13 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.387 1.875 . . . . 0.0 114.827 -176.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.2 98.91 6.15 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 128.829 2.851 . . . . 0.0 111.33 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.88 150.52 18.99 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 176.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.56 165.77 19.28 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 131.324 3.85 . . . . 0.0 109.322 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.0 mt -127.93 134.4 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.949 1.7 . . . . 0.0 106.879 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.46 172.77 13.42 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.38 0.672 . . . . 0.0 111.71 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.278 0.0 OUTLIER 57.92 15.76 3.28 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.305 2.242 . . . . 0.0 114.952 178.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -54.17 113.02 1.09 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.909 2.084 . . . . 0.0 113.643 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.0 m -107.5 156.11 19.33 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.367 1.467 . . . . 0.0 112.325 176.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -138.74 137.75 37.03 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.774 1.63 . . . . 0.0 109.707 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -132.03 146.63 52.19 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.53 1.932 . . . . 0.0 111.18 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -138.66 116.26 11.36 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -118.86 121.38 39.87 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.101 1.36 . . . . 0.0 113.066 175.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 45.05 20.35 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 118.507 2.78 . . . . 0.0 118.507 171.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.37 -21.34 9.31 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.388 1.947 . . . . 0.0 113.293 -176.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -74.53 136.94 42.15 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.19 1.396 . . . . 0.0 109.01 174.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -117.96 129.88 55.87 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.572 1.549 . . . . 0.0 108.771 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.65 139.71 49.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 123.911 0.884 . . . . 0.0 109.448 -178.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -132.44 118.13 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 124.885 1.274 . . . . 0.0 108.781 177.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.5 p -122.0 134.98 54.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.617 0.767 . . . . 0.0 112.09 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -154.34 -170.4 3.53 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.674 0.991 . . . . 0.0 113.674 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.61 158.22 44.11 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.053 1.341 . . . . 0.0 108.822 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -112.3 141.44 46.02 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.138 1.375 . . . . 0.0 108.165 176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.79 134.36 44.6 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.755 1.222 . . . . 0.0 111.06 -175.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.1 t -59.54 123.28 16.35 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.5 1.12 . . . . 0.0 110.699 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -62.84 -13.52 34.76 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.079 -1.638 . . . . 0.0 111.725 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -94.92 -67.76 0.84 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.433 1.093 . . . . 0.0 111.69 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.3 p -92.82 -6.04 49.74 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.301 73.3 m80 53.42 20.72 2.1 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.356 1.862 . . . . 0.0 115.166 -177.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.58 146.73 52.81 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.889 1.276 . . . . 0.0 107.604 169.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.4 t -75.7 105.07 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 121.585 -0.697 . . . . 0.0 109.902 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.3 mt -61.9 -45.91 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 125.513 1.525 . . . . 0.0 111.246 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.1 168.36 21.0 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.507 1.123 . . . . 0.0 112.691 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -116.49 140.26 49.56 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.961 1.704 . . . . 0.0 109.116 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.63 138.83 54.47 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.104 1.762 . . . . 0.0 112.651 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -139.81 131.2 26.85 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.528 1.131 . . . . 0.0 108.877 174.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -130.54 126.64 37.3 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 173.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.91 135.86 49.62 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -128.27 127.4 42.73 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.11 0.964 . . . . 0.0 109.811 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.31 142.93 50.99 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.478 1.911 . . . . 0.0 113.52 -176.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.9 mt -109.66 121.92 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 O-C-N 120.969 -1.082 . . . . 0.0 109.794 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.75 24.72 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.749 1.22 . . . . 0.0 114.218 177.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t0 51.6 -68.88 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.494 2.717 . . . . 0.0 117.333 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -135.44 6.0 3.24 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.881 2.072 . . . . 0.0 112.195 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.69 170.86 14.21 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.779 -1.201 . . . . 0.0 109.872 -175.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -122.29 143.48 49.59 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.961 1.304 . . . . 0.0 109.286 175.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -121.79 131.12 53.89 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 126.957 2.103 . . . . 0.0 109.575 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -122.45 130.08 52.7 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.98 1.312 . . . . 0.0 109.043 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.89 142.54 36.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.885 0.85 . . . . 0.0 109.13 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.4 ttp -137.57 145.74 43.22 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 125.863 1.665 . . . . 0.0 109.298 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.5 104.99 3.12 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.388 1.875 . . . . 0.0 110.14 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.3 t -142.33 136.84 30.09 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.178 1.791 . . . . 0.0 110.03 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.7 tp -58.99 -33.92 71.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.221 1.008 . . . . 0.0 111.797 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.0 tp -96.82 -63.29 1.15 Allowed 'General case' 0 C--O 1.233 0.204 0 C-N-CA 125.132 1.373 . . . . 0.0 111.288 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.33 -37.54 87.87 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.89 174.59 13.77 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 117.657 1.823 . . . . 0.0 117.657 172.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -113.24 115.96 29.02 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.272 1.429 . . . . 0.0 109.931 174.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.72 157.28 44.51 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -149.21 139.2 22.05 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.339 1.056 . . . . 0.0 111.062 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -141.7 152.49 43.92 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.076 1.75 . . . . 0.0 111.628 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.63 133.93 36.8 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.701 -0.624 . . . . 0.0 110.658 174.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.4 mt -122.25 126.33 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.225 1.41 . . . . 0.0 110.829 -177.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.4 p . . . . . 0 N--CA 1.47 0.572 0 O-C-N 121.362 -0.837 . . . . 0.0 109.9 174.726 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.81 -33.61 1.03 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 126.943 2.211 . . . . 0.0 111.881 -177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.58 -18.14 65.2 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 118.069 0.934 . . . . 0.0 110.031 169.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.8 m -61.85 -27.42 68.77 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.837 1.655 . . . . 0.0 112.797 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 m -111.04 138.89 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.716 1.206 . . . . 0.0 111.805 -174.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -64.79 -37.95 89.34 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.998 -1.064 . . . . 0.0 111.268 177.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -137.25 143.96 42.51 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.618 1.967 . . . . 0.0 109.444 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -81.4 125.0 29.88 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.946 0.898 . . . . 0.0 109.379 175.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 45.99 59.65 14.99 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.896 1.279 . . . . 0.0 113.215 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -63.13 144.99 93.46 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.18 2.587 . . . . 0.0 111.549 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -76.96 143.76 39.25 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.471 -1.393 . . . . 0.0 109.462 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.27 31.09 6.78 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -175.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.79 39.6 77.61 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 123.428 0.537 . . . . 0.0 112.876 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 78.84 13.27 1.31 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 128.298 2.639 . . . . 0.0 114.624 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.7 m -76.46 117.98 18.67 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.325 -1.485 . . . . 0.0 111.152 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.1 m -122.26 110.05 15.22 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.7 1.2 . . . . 0.0 110.401 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.0 145.72 45.61 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.384 1.873 . . . . 0.0 113.941 -175.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.29 -3.73 40.03 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.994 2.118 . . . . 0.0 113.453 176.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -145.93 156.04 43.26 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.725 1.21 . . . . 0.0 112.381 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.46 -175.51 18.93 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.26 1.409 . . . . 0.0 115.232 176.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 m -149.08 119.23 7.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.821 2.448 . . . . 0.0 108.261 177.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.1 77.32 2.26 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -174.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 mt -51.2 -29.87 15.41 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.8 mt -70.77 -20.52 62.6 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 177.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -100.03 -33.62 10.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.964 0.905 . . . . 0.0 109.702 174.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -65.78 109.8 2.59 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.235 0.47 . . . . 0.0 110.013 175.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 p -91.12 7.53 40.1 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.317 1.047 . . . . 0.0 112.248 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.14 150.79 27.13 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 125.295 1.426 . . . . 0.0 109.63 -175.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.69 170.13 0.12 Allowed 'General case' 0 C--O 1.238 0.49 0 C-N-CA 125.692 1.597 . . . . 0.0 114.17 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.62 -11.65 5.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.41 171.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.1 t -73.34 -35.27 45.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 119.731 1.15 . . . . 0.0 108.979 171.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.5 p -131.7 -16.82 2.93 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t 81.75 15.19 0.52 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -83.51 145.28 29.0 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.003 -1.686 . . . . 0.0 113.195 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -119.51 161.04 21.25 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.685 1.594 . . . . 0.0 110.251 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.08 26.52 3.86 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.465 1.906 . . . . 0.0 114.914 -176.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.27 98.83 6.11 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 128.744 2.818 . . . . 0.0 111.228 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.62 150.16 19.14 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.69 165.75 18.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 131.162 3.785 . . . . 0.0 109.495 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.0 mt -127.44 133.58 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.07 1.748 . . . . 0.0 106.918 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.09 170.3 16.95 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.469 0.707 . . . . 0.0 111.304 178.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.273 0.0 OUTLIER 58.02 12.43 1.8 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.171 2.189 . . . . 0.0 115.141 179.261 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -51.89 109.6 0.38 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 127.176 2.191 . . . . 0.0 112.649 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.8 m -107.52 156.1 19.36 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.68 1.592 . . . . 0.0 112.397 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 tt -139.0 137.74 36.61 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.578 1.551 . . . . 0.0 110.072 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -131.44 146.62 52.34 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 126.586 1.954 . . . . 0.0 111.18 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.49 116.36 11.57 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.865 0.364 . . . . 0.0 110.774 175.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -118.98 121.41 39.86 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.473 1.509 . . . . 0.0 113.307 174.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.6 t70 45.48 20.99 0.06 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 118.406 2.743 . . . . 0.0 118.406 172.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.47 -21.04 10.07 Favored Glycine 0 N--CA 1.477 1.381 0 C-N-CA 126.338 1.923 . . . . 0.0 113.225 -177.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -75.17 136.64 41.03 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.955 1.302 . . . . 0.0 108.886 174.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -118.06 129.81 55.78 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 125.677 1.591 . . . . 0.0 108.66 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.91 139.95 48.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 123.897 0.879 . . . . 0.0 109.387 -177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.1 t -132.56 118.05 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 124.975 1.31 . . . . 0.0 108.667 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.7 p -121.9 135.18 54.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.485 0.714 . . . . 0.0 111.623 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -153.22 -172.08 4.13 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.76 158.17 44.13 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.901 1.281 . . . . 0.0 108.596 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -113.5 140.52 48.05 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.058 1.343 . . . . 0.0 108.023 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.39 134.13 44.78 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.678 1.191 . . . . 0.0 111.07 -175.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.3 t -59.57 123.24 16.22 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.436 1.094 . . . . 0.0 110.701 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -62.69 -13.46 32.49 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 120.074 -1.641 . . . . 0.0 111.697 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -94.89 -68.14 0.82 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.442 1.097 . . . . 0.0 111.668 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.44 -6.2 50.42 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.301 73.1 m80 53.56 20.39 2.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.339 1.856 . . . . 0.0 115.126 -177.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.47 146.63 52.99 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.978 1.311 . . . . 0.0 107.558 170.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.6 t -75.73 104.76 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 121.573 -0.704 . . . . 0.0 109.885 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.1 -45.68 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.526 1.531 . . . . 0.0 111.185 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.62 168.15 20.31 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.514 1.126 . . . . 0.0 112.583 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.58 140.28 49.56 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.925 1.69 . . . . 0.0 109.117 174.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.03 139.6 53.9 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.154 1.781 . . . . 0.0 112.721 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -140.2 132.45 28.2 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.548 1.139 . . . . 0.0 108.844 174.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -131.68 126.2 34.0 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 173.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.76 135.85 49.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -128.68 127.63 42.52 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.195 0.998 . . . . 0.0 110.095 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.65 142.88 50.89 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.482 1.913 . . . . 0.0 113.578 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -109.81 121.91 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 O-C-N 121.091 -1.006 . . . . 0.0 109.952 174.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.42 115.71 24.65 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.846 1.258 . . . . 0.0 114.214 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 t0 51.48 -69.16 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 128.499 2.72 . . . . 0.0 117.35 175.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -135.04 6.16 3.35 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.903 2.081 . . . . 0.0 112.169 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.28 171.18 14.03 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.914 -1.116 . . . . 0.0 109.929 -175.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -123.07 143.43 49.97 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.107 1.363 . . . . 0.0 109.219 176.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -121.23 130.0 53.47 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 126.86 2.064 . . . . 0.0 109.518 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -121.94 129.41 52.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 124.89 1.276 . . . . 0.0 109.326 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.93 141.49 36.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 122.094 0.95 . . . . 0.0 109.683 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.0 ttp -137.85 145.25 41.99 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 125.805 1.642 . . . . 0.0 109.388 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.74 105.24 3.11 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.221 1.808 . . . . 0.0 110.357 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.6 t -142.34 136.93 30.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.173 1.789 . . . . 0.0 110.132 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 tp -59.13 -34.36 71.96 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.288 1.035 . . . . 0.0 111.808 176.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.6 tp -96.32 -63.18 1.17 Allowed 'General case' 0 C--O 1.233 0.208 0 C-N-CA 125.055 1.342 . . . . 0.0 111.206 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.2 m -64.56 -37.66 88.34 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 123.887 0.875 . . . . 0.0 113.355 -173.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.32 174.9 13.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 117.652 1.821 . . . . 0.0 117.652 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.47 117.44 31.7 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.151 1.381 . . . . 0.0 110.139 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.61 157.26 44.55 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -150.37 137.76 19.64 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.349 1.059 . . . . 0.0 111.041 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -141.74 152.48 43.85 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.084 1.754 . . . . 0.0 111.77 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.92 132.86 37.02 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.963 -0.461 . . . . 0.0 110.536 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.8 mt -122.25 127.26 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.265 1.426 . . . . 0.0 110.942 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.468 0.465 0 O-C-N 121.31 -0.868 . . . . 0.0 110.017 173.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.62 -34.15 1.0 Allowed Glycine 0 CA--C 1.531 1.08 0 C-N-CA 127.006 2.241 . . . . 0.0 111.648 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -65.61 -18.86 65.64 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.741 -0.858 . . . . 0.0 109.87 169.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.61 -25.22 67.99 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.03 1.732 . . . . 0.0 113.039 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 m -112.28 138.88 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.213 1.005 . . . . 0.0 112.097 -174.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -64.59 -39.33 93.53 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.636 1.174 . . . . 0.0 111.039 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -135.84 143.25 45.02 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.592 1.957 . . . . 0.0 109.534 175.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.45 123.97 29.04 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.907 0.883 . . . . 0.0 109.308 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 47.22 59.96 15.76 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 124.88 1.272 . . . . 0.0 113.379 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -62.53 146.31 95.47 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.52 2.813 . . . . 0.0 111.598 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -78.68 144.93 34.9 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.358 -1.464 . . . . 0.0 109.47 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -117.25 29.46 7.88 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -176.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.81 13.65 13.68 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.952 1.739 . . . . 0.0 116.445 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 119.55 -2.89 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.14 1 C-N-CA 132.494 4.317 . . . . 0.0 115.745 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.4 m -64.49 117.65 7.65 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.961 -1.087 . . . . 0.0 112.844 -176.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 67.5 m -123.6 108.82 13.02 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.906 1.282 . . . . 0.0 110.214 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -120.37 146.47 46.13 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.052 1.741 . . . . 0.0 113.48 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -96.62 -0.18 48.98 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.757 1.223 . . . . 0.0 113.511 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -146.96 156.59 43.18 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.617 1.567 . . . . 0.0 111.803 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.36 -178.72 18.72 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.113 1.339 . . . . 0.0 114.678 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.7 m -150.16 119.33 6.77 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.435 2.294 . . . . 0.0 108.5 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -76.26 77.03 3.05 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 -174.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.9 mt -51.38 -29.63 16.27 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.3 mt -70.51 -20.06 62.86 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.667 1.187 . . . . 0.0 113.39 176.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -101.29 -34.18 9.74 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.111 0.964 . . . . 0.0 109.811 174.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -64.95 110.49 2.47 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.757 -0.589 . . . . 0.0 110.357 176.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.1 p -88.25 0.1 56.51 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.281 1.032 . . . . 0.0 112.245 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.59 150.06 24.85 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.95 1.738 . . . . 0.0 109.531 -175.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.6 t -53.15 167.07 0.19 Allowed 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.437 1.495 . . . . 0.0 114.095 -177.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.71 -10.88 6.73 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.253 1.021 . . . . 0.0 112.242 172.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -74.09 -35.46 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 119.701 1.137 . . . . 0.0 109.04 171.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.7 p -131.74 -14.81 3.14 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t 80.71 17.53 0.57 Allowed 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -87.24 143.88 27.07 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.044 -1.66 . . . . 0.0 113.365 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -117.29 161.09 20.06 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.614 1.566 . . . . 0.0 109.861 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.267 3.8 p30 52.51 25.58 3.69 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 126.31 1.844 . . . . 0.0 115.076 -176.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -121.54 99.4 6.45 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 128.763 2.825 . . . . 0.0 111.155 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.02 149.09 13.94 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 176.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.35 165.04 19.75 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 130.899 3.68 . . . . 0.0 109.055 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -125.89 134.24 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 175.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.27 175.52 11.33 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.477 0.711 . . . . 0.0 110.891 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t30 59.15 18.44 6.48 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.668 1.187 . . . . 0.0 113.363 174.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -58.28 113.67 2.06 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.712 2.005 . . . . 0.0 111.889 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.6 m -107.4 156.07 19.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.958 1.703 . . . . 0.0 111.626 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -140.12 137.82 34.78 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.296 1.439 . . . . 0.0 110.539 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -132.06 146.67 52.21 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 126.663 1.985 . . . . 0.0 111.285 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -139.15 116.3 11.05 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.897 0.38 . . . . 0.0 111.329 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -118.86 121.5 40.16 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.362 1.465 . . . . 0.0 113.248 174.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t70 44.82 21.19 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 118.54 2.793 . . . . 0.0 118.54 172.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.76 -20.41 10.05 Favored Glycine 0 N--CA 1.477 1.397 0 C-N-CA 126.231 1.872 . . . . 0.0 113.247 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -75.34 136.78 40.81 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.093 1.357 . . . . 0.0 108.93 174.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -117.91 130.0 55.97 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.607 1.563 . . . . 0.0 108.659 176.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.8 139.32 50.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 123.875 0.87 . . . . 0.0 109.529 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.39 118.16 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.985 1.314 . . . . 0.0 109.292 177.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.5 p -121.95 134.92 54.84 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.514 0.726 . . . . 0.0 111.879 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -152.35 -168.79 3.16 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.011 -1.055 . . . . 0.0 113.391 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -141.73 158.24 44.05 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.531 1.132 . . . . 0.0 109.709 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -108.52 139.01 43.88 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mp -132.87 129.28 38.22 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.506 1.123 . . . . 0.0 110.299 -175.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.0 t -56.42 123.69 15.56 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.53 1.132 . . . . 0.0 111.159 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -63.04 -12.62 27.63 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.228 -1.545 . . . . 0.0 111.722 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -96.3 -67.0 0.87 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.312 1.045 . . . . 0.0 111.631 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.2 p -93.84 -5.74 47.38 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 63.7 m80 52.63 20.48 1.54 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.302 1.841 . . . . 0.0 115.018 -176.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 146.19 53.47 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 169.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.8 t -74.64 104.96 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 O-C-N 121.678 -0.639 . . . . 0.0 109.745 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.3 mt -61.03 -45.58 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.377 1.471 . . . . 0.0 110.684 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.75 164.54 23.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.802 1.241 . . . . 0.0 112.131 -176.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -110.44 143.6 40.49 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.28 1.432 . . . . 0.0 108.66 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -125.06 138.27 54.2 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.862 1.665 . . . . 0.0 111.848 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -137.76 132.07 32.18 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.742 1.217 . . . . 0.0 108.863 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -131.39 125.71 33.31 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.46 135.77 49.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.965 0.888 . . . . 0.0 108.675 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -128.57 126.2 39.83 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.017 0.927 . . . . 0.0 110.175 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.01 142.93 51.43 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.516 1.926 . . . . 0.0 113.656 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.2 122.36 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 O-C-N 121.022 -1.049 . . . . 0.0 110.194 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.72 24.66 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.937 1.295 . . . . 0.0 113.434 177.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 51.74 -71.41 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 128.354 2.661 . . . . 0.0 116.708 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -136.31 8.16 3.14 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.764 2.026 . . . . 0.0 111.963 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.03 170.46 13.96 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.95 -1.094 . . . . 0.0 109.159 -175.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.17 143.43 50.51 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 125.007 1.323 . . . . 0.0 109.287 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -121.43 129.28 52.9 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.393 1.877 . . . . 0.0 109.215 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -120.96 128.88 53.15 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 125.01 1.324 . . . . 0.0 109.133 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.88 142.45 36.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 122.02 0.914 . . . . 0.0 109.183 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 ttp -137.05 145.65 44.27 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 125.628 1.571 . . . . 0.0 109.298 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tp -150.84 105.36 3.26 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.352 1.861 . . . . 0.0 110.108 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.7 t -142.12 136.89 30.52 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.291 1.837 . . . . 0.0 109.724 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.4 tp -59.91 -34.45 73.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.218 1.007 . . . . 0.0 111.8 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.9 tp -95.38 -63.82 1.12 Allowed 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 124.911 1.284 . . . . 0.0 111.303 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.1 m -64.72 -37.2 86.79 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 124.161 0.985 . . . . 0.0 113.468 -173.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.12 175.19 13.98 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 118.094 1.998 . . . . 0.0 118.094 172.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -113.18 116.68 30.2 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 125.354 1.462 . . . . 0.0 109.797 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.65 157.27 44.53 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.226 1.011 . . . . 0.0 113.712 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -150.18 139.04 20.89 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.258 1.023 . . . . 0.0 111.532 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.77 152.39 43.72 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.289 1.836 . . . . 0.0 111.785 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.91 134.37 38.66 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.736 -0.603 . . . . 0.0 110.511 174.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.1 mt -122.26 127.74 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.062 1.345 . . . . 0.0 110.841 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.7 p . . . . . 0 N--CA 1.47 0.568 0 O-C-N 121.421 -0.799 . . . . 0.0 108.903 173.17 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.74 -34.24 1.02 Allowed Glycine 0 CA--C 1.531 1.045 0 C-N-CA 126.967 2.223 . . . . 0.0 111.831 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.53 -18.74 65.55 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 121.698 -0.883 . . . . 0.0 109.982 169.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.4 m -62.57 -25.59 68.15 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.268 1.827 . . . . 0.0 113.056 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.3 m -111.37 138.73 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.118 0.967 . . . . 0.0 111.865 -174.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -64.83 -40.38 95.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.905 1.282 . . . . 0.0 110.334 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -135.37 139.1 43.97 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.741 2.016 . . . . 0.0 108.911 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -81.09 125.26 29.99 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.634 0.774 . . . . 0.0 109.367 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 45.51 59.55 14.56 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 124.884 1.274 . . . . 0.0 113.051 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -63.12 143.49 90.39 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.241 2.627 . . . . 0.0 111.785 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -76.61 143.23 40.33 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 120.502 -1.374 . . . . 0.0 109.401 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.04 31.21 6.75 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -175.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.99 37.05 69.21 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 123.46 0.552 . . . . 0.0 113.073 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 84.08 6.83 0.62 Allowed 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 128.816 2.847 . . . . 0.0 114.659 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.7 m -70.36 117.25 11.66 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 120.257 -1.527 . . . . 0.0 111.524 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.9 m -121.69 109.8 15.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.543 1.137 . . . . 0.0 110.266 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mp -119.25 145.4 46.1 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.186 1.794 . . . . 0.0 113.598 -175.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.97 -4.56 46.47 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.619 1.967 . . . . 0.0 113.228 176.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -147.35 154.98 41.56 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.261 1.024 . . . . 0.0 112.871 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.83 -176.04 16.85 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.655 1.597 . . . . 0.0 114.563 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.3 m -148.77 118.54 7.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.623 2.369 . . . . 0.0 108.046 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -74.85 77.59 2.12 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -173.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.7 mt -52.46 -29.4 24.49 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.1 mt -71.04 -13.46 61.99 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -110.9 -29.02 8.11 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.167 1.387 . . . . 0.0 110.397 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -67.88 111.2 4.21 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.141 0.882 . . . . 0.0 109.934 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.5 p -87.2 -3.77 59.07 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.824 0.85 . . . . 0.0 112.531 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.86 148.58 20.5 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.943 1.735 . . . . 0.0 109.119 -174.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.4 t -52.72 167.77 0.14 Allowed 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.662 1.585 . . . . 0.0 114.091 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.73 -11.6 6.66 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.311 172.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.7 t -74.0 -35.34 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 119.713 1.142 . . . . 0.0 109.158 171.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.0 p -131.68 -15.65 3.07 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 80.32 17.04 0.67 Allowed 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -84.42 147.27 27.21 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 119.772 -1.83 . . . . 0.0 112.91 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -122.97 160.89 25.29 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.041 1.737 . . . . 0.0 109.881 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.259 4.2 p30 50.93 27.48 3.21 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 126.356 1.862 . . . . 0.0 115.072 -175.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -123.19 100.72 7.0 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 128.708 2.803 . . . . 0.0 111.564 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.34 150.21 17.92 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 176.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.37 167.52 16.08 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 131.218 3.807 . . . . 0.0 108.938 178.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 88.1 mt -129.88 136.44 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.929 1.691 . . . . 0.0 106.97 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.91 173.76 12.97 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.313 0.645 . . . . 0.0 111.611 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.281 0.0 OUTLIER 57.59 14.61 2.41 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.414 2.286 . . . . 0.0 115.441 178.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -50.68 111.46 0.55 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.847 2.059 . . . . 0.0 112.901 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.3 m -107.44 155.96 19.47 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.822 1.649 . . . . 0.0 111.834 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -141.38 137.77 32.54 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.555 1.542 . . . . 0.0 110.135 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -131.48 146.63 52.33 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.53 1.932 . . . . 0.0 111.113 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -138.73 116.31 11.34 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -118.95 121.41 39.87 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.422 1.489 . . . . 0.0 113.382 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t70 45.69 20.91 0.07 Allowed 'General case' 0 CA--C 1.559 1.298 0 N-CA-C 118.427 2.751 . . . . 0.0 118.427 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.54 -20.81 10.1 Favored Glycine 0 N--CA 1.477 1.411 0 C-N-CA 126.316 1.912 . . . . 0.0 113.163 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -75.56 136.74 40.53 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.934 1.293 . . . . 0.0 108.822 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -118.08 129.9 55.82 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.912 1.685 . . . . 0.0 108.516 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.67 138.94 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 123.805 0.842 . . . . 0.0 109.188 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.6 t -132.38 118.14 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 124.776 1.23 . . . . 0.0 108.993 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.5 p -122.03 134.88 54.8 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.594 0.758 . . . . 0.0 111.844 177.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -153.53 -171.66 3.98 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.079 -1.013 . . . . 0.0 113.192 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.66 158.19 44.13 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.703 1.201 . . . . 0.0 108.997 -178.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -112.29 141.05 46.47 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.184 1.394 . . . . 0.0 108.092 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.56 134.62 45.19 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.615 1.166 . . . . 0.0 111.174 -175.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.8 t -59.75 123.91 18.47 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.385 1.074 . . . . 0.0 110.641 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -63.12 -13.47 36.92 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.15 -1.594 . . . . 0.0 111.71 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -94.84 -68.72 0.79 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.463 1.105 . . . . 0.0 111.613 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.8 p -91.53 -6.55 52.3 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.298 73.1 m80 53.41 21.13 2.25 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.326 1.85 . . . . 0.0 114.974 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.95 147.06 52.19 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.111 1.364 . . . . 0.0 107.576 169.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.9 t -75.65 105.13 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.622 -0.674 . . . . 0.0 110.032 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.2 mt -61.29 -45.63 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 125.622 1.569 . . . . 0.0 111.124 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.66 167.8 20.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.566 1.146 . . . . 0.0 112.439 -175.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -115.5 140.72 48.9 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.861 1.664 . . . . 0.0 109.179 174.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.05 139.33 54.19 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.13 1.772 . . . . 0.0 112.37 -177.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -139.59 132.94 30.04 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.592 1.157 . . . . 0.0 108.677 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -132.0 125.96 32.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.58 135.81 49.87 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -129.87 127.47 40.27 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.091 0.956 . . . . 0.0 110.469 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -126.22 142.79 51.39 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.918 2.087 . . . . 0.0 113.733 -177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.5 mt -114.48 121.47 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 171.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . 0.379 0.0 OUTLIER -119.87 121.28 38.71 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 174.475 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 53.87 -70.05 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 128.734 2.814 . . . . 0.0 116.804 176.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -137.39 5.51 2.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.128 1.771 . . . . 0.0 112.577 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -132.18 173.5 11.18 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.791 1.178 . . . . 0.0 109.543 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -125.12 143.43 50.93 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.681 1.592 . . . . 0.0 108.799 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -122.83 130.86 53.4 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 127.611 2.364 . . . . 0.0 109.932 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -121.74 130.66 53.59 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 125.127 1.371 . . . . 0.0 109.068 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.88 143.11 36.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 122.212 1.006 . . . . 0.0 109.494 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.8 ttp -138.11 145.32 41.5 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 125.696 1.598 . . . . 0.0 109.2 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 tp -151.9 105.36 3.1 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.152 1.781 . . . . 0.0 110.186 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.7 t -142.41 136.68 29.78 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 126.334 1.854 . . . . 0.0 109.941 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.75 -34.35 72.85 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.142 0.977 . . . . 0.0 111.954 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.5 tp -94.76 -62.42 1.32 Allowed 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.879 1.272 . . . . 0.0 111.341 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 79.9 m -66.01 -39.24 90.08 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.237 1.015 . . . . 0.0 113.543 -172.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.69 174.45 13.68 Favored Glycine 0 C--N 1.336 0.582 0 N-CA-C 118.063 1.985 . . . . 0.0 118.063 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.87 117.96 32.87 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.178 1.391 . . . . 0.0 110.232 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.75 157.24 44.53 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -150.12 137.79 19.95 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.359 1.064 . . . . 0.0 111.035 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -141.78 152.42 43.74 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.281 1.832 . . . . 0.0 111.939 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -135.41 134.87 40.13 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.894 -0.504 . . . . 0.0 111.112 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.3 mt -122.28 127.56 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.503 1.521 . . . . 0.0 110.814 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.47 0.536 0 O-C-N 121.5 -0.75 . . . . 0.0 109.725 174.711 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.83 -33.77 1.03 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 126.853 2.168 . . . . 0.0 111.871 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.3 -18.44 65.35 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 118.058 0.929 . . . . 0.0 110.064 169.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.53 -27.5 68.65 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.852 1.661 . . . . 0.0 112.91 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 m -111.12 138.92 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.701 1.2 . . . . 0.0 111.754 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.8 -38.01 89.55 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.854 -1.154 . . . . 0.0 111.195 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -137.19 143.84 42.56 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.56 1.944 . . . . 0.0 109.396 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.44 124.77 29.72 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.954 0.902 . . . . 0.0 109.365 175.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 46.14 59.89 14.86 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 124.915 1.286 . . . . 0.0 113.213 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -63.17 145.37 93.48 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.167 2.578 . . . . 0.0 111.639 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -77.73 143.73 37.81 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.587 -1.32 . . . . 0.0 109.604 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.02 31.06 6.83 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -175.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.0 36.82 68.5 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 123.438 0.542 . . . . 0.0 113.081 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.95 6.83 0.64 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.87 2.868 . . . . 0.0 114.737 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.2 m -70.64 117.71 12.5 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.32 -1.487 . . . . 0.0 111.617 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.5 m -121.23 109.35 14.85 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.634 1.174 . . . . 0.0 110.303 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -118.1 145.08 45.12 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.259 1.824 . . . . 0.0 113.478 -175.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.2 -7.8 41.14 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.16 1.784 . . . . 0.0 113.026 176.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -145.26 156.31 43.75 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.11 -168.14 12.75 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 126.057 1.789 . . . . 0.0 114.853 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.1 m -152.24 119.31 5.85 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.075 2.15 . . . . 0.0 108.105 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -74.66 77.3 2.03 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 115.883 1.808 . . . . 0.0 115.883 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.5 mt -51.5 -29.53 16.93 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.51 -19.66 62.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.827 0.851 . . . . 0.0 113.216 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -101.9 -33.91 9.59 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.213 1.005 . . . . 0.0 109.842 174.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -65.84 109.47 2.49 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.787 -0.571 . . . . 0.0 110.075 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.2 p -90.62 7.31 39.92 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.148 0.979 . . . . 0.0 112.198 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.0 151.46 27.99 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.51 1.529 . . . . 0.0 109.588 -175.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.78 170.42 0.12 Allowed 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.8 1.64 . . . . 0.0 114.264 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.85 -11.62 5.42 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.339 171.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.5 t -73.63 -35.46 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 119.793 1.179 . . . . 0.0 109.044 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.3 p -131.44 -17.37 2.96 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 116.184 1.92 . . . . 0.0 116.184 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.32 15.98 0.54 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.532 1.933 . . . . 0.0 116.158 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -82.44 148.23 28.3 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 119.723 -1.861 . . . . 0.0 113.035 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -123.21 160.94 25.51 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.691 1.597 . . . . 0.0 110.096 175.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.04 26.6 3.87 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.34 1.856 . . . . 0.0 114.911 -175.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.32 99.34 6.37 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 128.895 2.878 . . . . 0.0 111.377 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.1 150.1 18.26 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.79 167.26 16.77 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 131.263 3.825 . . . . 0.0 109.691 178.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.0 mt -127.71 134.07 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 126.219 1.808 . . . . 0.0 107.092 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.13 173.13 12.79 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.76 0.824 . . . . 0.0 111.663 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.266 0.0 OUTLIER 56.28 13.04 1.13 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 127.457 2.303 . . . . 0.0 115.248 179.267 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -53.63 113.08 1.05 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 127.86 2.464 . . . . 0.0 114.199 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.1 m -107.53 156.18 19.28 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.508 1.523 . . . . 0.0 112.767 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tt -138.49 137.73 37.4 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.105 1.762 . . . . 0.0 109.108 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -132.01 146.61 52.18 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 126.332 1.853 . . . . 0.0 110.659 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -137.58 116.27 12.17 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 175.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -118.92 121.4 39.88 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.047 1.339 . . . . 0.0 113.68 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.6 t70 46.75 20.43 0.11 Allowed 'General case' 0 CA--C 1.558 1.287 0 N-CA-C 118.581 2.808 . . . . 0.0 118.581 170.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.12 -20.7 9.68 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 126.721 2.105 . . . . 0.0 113.36 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -77.92 138.56 38.95 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.514 1.526 . . . . 0.0 109.535 175.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -117.94 129.83 55.85 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.032 1.733 . . . . 0.0 108.587 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.66 139.51 50.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 124.078 0.951 . . . . 0.0 109.376 -177.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.7 t -132.42 117.98 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.695 1.198 . . . . 0.0 108.571 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.2 p -122.02 134.19 54.8 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.835 0.854 . . . . 0.0 111.876 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -155.73 -170.71 3.51 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.255 -0.903 . . . . 0.0 113.211 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.68 158.18 44.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.882 1.273 . . . . 0.0 108.933 -178.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -112.06 140.33 46.83 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.232 1.413 . . . . 0.0 108.003 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mp -132.18 133.92 44.78 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.697 1.199 . . . . 0.0 111.003 -175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.03 123.19 15.76 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.497 1.119 . . . . 0.0 110.621 177.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -62.82 -13.48 34.09 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 120.052 -1.655 . . . . 0.0 111.711 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -94.71 -67.92 0.83 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.419 1.087 . . . . 0.0 111.657 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.6 p -92.24 -6.44 50.47 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 72.7 m80 53.27 21.57 2.34 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 126.324 1.85 . . . . 0.0 115.062 -177.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.75 146.81 51.2 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.17 1.388 . . . . 0.0 107.488 169.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.8 t -75.44 105.59 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 O-C-N 121.575 -0.703 . . . . 0.0 109.981 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.9 mt -62.04 -45.58 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 125.45 1.5 . . . . 0.0 111.059 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.53 167.64 21.14 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.5 1.12 . . . . 0.0 112.626 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -115.4 140.76 48.85 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.946 1.698 . . . . 0.0 109.022 174.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -124.29 138.96 54.33 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.909 1.684 . . . . 0.0 112.477 -177.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -139.37 132.22 29.24 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.666 1.187 . . . . 0.0 108.713 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -131.64 126.21 34.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 173.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.62 135.79 49.8 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -129.09 125.13 36.53 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.038 0.935 . . . . 0.0 110.091 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -126.11 142.9 51.33 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.818 2.047 . . . . 0.0 113.763 -175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.71 122.15 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 121.135 -0.978 . . . . 0.0 110.385 174.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.75 24.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.037 1.335 . . . . 0.0 113.726 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.3 t0 52.27 -70.92 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 128.34 2.656 . . . . 0.0 116.725 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -136.74 8.79 3.06 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.822 2.049 . . . . 0.0 112.037 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.92 170.96 13.75 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.863 -1.148 . . . . 0.0 108.956 -175.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -125.39 143.49 50.95 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.155 1.382 . . . . 0.0 109.236 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -121.27 129.58 53.22 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 126.776 2.03 . . . . 0.0 109.113 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -120.64 129.72 53.83 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.951 1.301 . . . . 0.0 108.895 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.94 142.07 36.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 122.216 1.008 . . . . 0.0 109.361 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.8 ttp -138.54 145.04 40.21 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 125.659 1.584 . . . . 0.0 109.305 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.4 tp -151.43 105.67 3.2 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.123 1.769 . . . . 0.0 110.196 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.7 t -142.66 136.97 29.61 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 126.163 1.785 . . . . 0.0 110.217 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.0 tp -59.15 -34.17 71.76 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.198 0.999 . . . . 0.0 111.855 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.7 tp -96.52 -63.13 1.17 Allowed 'General case' 0 C--O 1.232 0.166 0 C-N-CA 125.061 1.344 . . . . 0.0 111.231 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.1 m -64.69 -37.59 88.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -173.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.55 174.81 13.84 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 117.761 1.865 . . . . 0.0 117.761 172.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -112.86 117.6 32.58 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.522 1.529 . . . . 0.0 109.821 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.76 157.2 44.55 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.344 1.058 . . . . 0.0 113.828 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -150.98 137.77 18.94 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.309 1.044 . . . . 0.0 111.158 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -141.82 152.47 43.72 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.41 1.884 . . . . 0.0 111.856 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.03 133.65 39.6 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.778 -0.576 . . . . 0.0 110.735 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.7 mt -122.26 129.72 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.422 1.489 . . . . 0.0 111.313 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.472 0.633 0 O-C-N 121.16 -0.963 . . . . 0.0 109.362 173.126 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.64 -33.73 1.0 Allowed Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.986 2.232 . . . . 0.0 111.726 -177.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -65.7 -19.19 65.81 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 118.047 0.924 . . . . 0.0 109.964 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.5 m -61.96 -25.87 67.86 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.132 1.773 . . . . 0.0 113.157 175.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.0 m -112.15 138.48 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.506 1.123 . . . . 0.0 111.526 -174.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -63.94 -38.77 92.32 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.872 -1.142 . . . . 0.0 110.779 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -137.26 142.89 41.99 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.577 1.551 . . . . 0.0 109.43 176.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -80.92 124.31 29.02 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.087 0.955 . . . . 0.0 109.314 176.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 46.86 59.98 15.52 Favored Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 124.698 1.199 . . . . 0.0 113.117 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -63.09 146.75 94.61 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.37 2.713 . . . . 0.0 111.429 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -77.92 145.46 36.12 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.523 -1.361 . . . . 0.0 109.393 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -119.16 28.63 8.12 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.32 36.95 71.24 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.345 0.498 . . . . 0.0 112.872 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 82.96 6.34 0.83 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 128.915 2.886 . . . . 0.0 114.731 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.4 m -70.71 118.66 13.78 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.251 -1.531 . . . . 0.0 111.536 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.3 m -122.8 109.84 14.71 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.68 1.192 . . . . 0.0 110.31 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mp -120.84 148.79 43.54 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.09 1.756 . . . . 0.0 113.966 -175.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.11 0.85 38.54 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.321 2.248 . . . . 0.0 112.837 176.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -141.26 159.5 42.08 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.227 1.411 . . . . 0.0 113.249 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.7 -175.32 35.5 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.265 1.412 . . . . 0.0 115.929 175.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 m -146.13 123.14 11.4 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 127.798 2.439 . . . . 0.0 108.533 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -75.29 76.72 2.4 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -174.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.3 mt -51.78 -29.54 19.37 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.38 -18.89 63.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.315 1.046 . . . . 0.0 113.182 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -102.7 -33.1 9.54 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.172 0.989 . . . . 0.0 110.376 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -66.13 109.97 2.8 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 175.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.7 p -88.65 2.06 53.9 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.225 1.01 . . . . 0.0 112.11 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.31 150.61 26.86 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.94 1.733 . . . . 0.0 109.448 -175.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.1 t -53.1 168.87 0.12 Allowed 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.562 1.545 . . . . 0.0 114.301 -177.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.54 -11.43 6.2 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.24 171.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.9 t -74.02 -35.41 41.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 119.681 1.128 . . . . 0.0 109.056 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.0 p -131.59 -16.7 2.98 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 82.2 14.6 0.48 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -83.34 145.37 29.09 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.025 -1.672 . . . . 0.0 113.34 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -119.33 160.76 21.64 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.684 1.594 . . . . 0.0 110.016 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.06 26.7 3.96 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 126.337 1.855 . . . . 0.0 115.045 -176.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.29 98.84 6.11 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 128.704 2.802 . . . . 0.0 111.386 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.93 150.55 18.94 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.46 165.37 19.96 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 131.265 3.826 . . . . 0.0 109.266 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.1 mt -127.57 134.18 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 125.873 1.669 . . . . 0.0 106.866 176.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.27 172.77 13.33 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.483 0.713 . . . . 0.0 111.78 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.278 0.0 OUTLIER 57.78 15.82 3.2 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.262 2.225 . . . . 0.0 114.897 178.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -54.33 112.86 1.07 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.987 2.115 . . . . 0.0 113.476 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.2 m -107.47 156.12 19.31 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.296 1.438 . . . . 0.0 112.297 176.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -138.72 137.76 37.08 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.68 1.592 . . . . 0.0 109.697 177.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -131.88 146.69 52.27 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 126.379 1.872 . . . . 0.0 111.125 -178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -138.9 116.36 11.26 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.898 0.38 . . . . 0.0 111.09 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -118.91 121.42 39.93 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.286 1.434 . . . . 0.0 113.198 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 45.1 20.73 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 118.415 2.746 . . . . 0.0 118.415 172.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.07 -20.96 9.63 Favored Glycine 0 N--CA 1.477 1.424 0 C-N-CA 126.273 1.892 . . . . 0.0 113.304 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -74.73 136.99 41.76 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.104 1.361 . . . . 0.0 108.92 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -117.94 129.85 55.86 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.584 1.554 . . . . 0.0 108.705 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.72 139.58 49.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 123.836 0.855 . . . . 0.0 109.47 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.2 t -132.35 118.13 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.757 1.223 . . . . 0.0 108.797 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.5 p -121.91 134.75 54.86 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.523 0.729 . . . . 0.0 112.015 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -154.45 -170.95 3.69 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -141.64 158.31 43.99 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.897 1.279 . . . . 0.0 109.248 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -111.7 141.15 45.67 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.222 1.409 . . . . 0.0 108.206 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.68 134.37 44.73 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.763 1.225 . . . . 0.0 110.883 -176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.3 t -59.42 123.48 16.94 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.486 1.114 . . . . 0.0 110.745 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -63.05 -12.84 29.37 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 120.107 -1.621 . . . . 0.0 111.737 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -95.86 -67.7 0.84 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.549 1.139 . . . . 0.0 111.655 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.2 p -92.84 -5.98 49.81 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.294 70.8 m80 53.49 20.29 2.0 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.374 1.87 . . . . 0.0 115.156 -177.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.4 147.06 52.61 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.844 1.257 . . . . 0.0 107.719 169.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.7 t -76.46 102.25 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 O-C-N 121.558 -0.714 . . . . 0.0 110.325 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.9 mt -58.66 -47.49 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.555 1.542 . . . . 0.0 111.478 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -161.7 168.31 23.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.409 1.084 . . . . 0.0 112.511 -175.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.6 141.26 48.42 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.147 1.779 . . . . 0.0 108.747 176.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -125.77 138.64 53.86 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.678 1.591 . . . . 0.0 112.781 -176.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -140.19 131.43 26.6 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 124.452 1.101 . . . . 0.0 108.977 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -130.51 126.7 37.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 173.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.01 135.77 49.41 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -128.63 127.2 41.76 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.217 1.007 . . . . 0.0 110.116 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.98 142.9 51.11 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.511 1.925 . . . . 0.0 113.562 -176.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.9 mt -109.73 121.97 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 O-C-N 121.048 -1.032 . . . . 0.0 109.862 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.46 115.8 24.8 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.721 1.209 . . . . 0.0 113.75 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 51.05 -69.0 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 128.534 2.733 . . . . 0.0 117.365 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -136.23 6.1 3.05 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.975 2.11 . . . . 0.0 112.059 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.59 170.47 14.69 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.991 -1.068 . . . . 0.0 109.569 -175.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -122.71 143.53 49.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.804 1.242 . . . . 0.0 109.322 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -121.61 130.78 53.73 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 126.844 2.058 . . . . 0.0 109.555 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -122.08 129.97 52.85 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 124.955 1.302 . . . . 0.0 109.168 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.51 142.39 37.28 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.925 0.869 . . . . 0.0 109.099 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.1 ttp -138.0 145.69 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.57 1.548 . . . . 0.0 109.302 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.52 105.21 3.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.291 1.836 . . . . 0.0 110.255 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 37.6 t -142.11 136.87 30.52 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.153 1.781 . . . . 0.0 110.204 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.1 tp -59.26 -34.11 71.85 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.164 0.985 . . . . 0.0 111.947 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.8 tp -96.64 -63.16 1.17 Allowed 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.928 1.291 . . . . 0.0 111.117 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.1 m -64.6 -37.4 87.43 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.006 0.922 . . . . 0.0 113.32 -173.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.29 174.61 13.8 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 117.866 1.906 . . . . 0.0 117.866 172.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -113.42 117.13 30.87 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.331 1.452 . . . . 0.0 110.255 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.75 157.28 44.5 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -149.81 138.3 20.7 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.349 1.06 . . . . 0.0 110.924 175.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -141.89 152.35 43.5 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 126.205 1.802 . . . . 0.0 111.802 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.04 134.14 38.16 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.72 -0.613 . . . . 0.0 110.756 174.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.4 mt -122.21 125.85 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.121 1.369 . . . . 0.0 110.727 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.469 0.52 0 O-C-N 121.401 -0.812 . . . . 0.0 109.461 174.265 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.8 -33.88 1.03 Allowed Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.941 2.21 . . . . 0.0 111.776 -177.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.38 -18.28 65.27 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.03 0.915 . . . . 0.0 109.966 170.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.4 m -61.8 -27.29 68.65 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.851 1.661 . . . . 0.0 112.865 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.5 m -110.59 139.29 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.52 1.128 . . . . 0.0 111.801 -174.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -64.18 -41.34 97.16 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.948 1.299 . . . . 0.0 110.67 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -134.5 141.99 46.91 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 127.013 2.125 . . . . 0.0 109.35 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.45 124.62 29.59 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.831 0.853 . . . . 0.0 109.318 175.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 46.36 59.81 15.19 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 124.892 1.277 . . . . 0.0 113.182 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -63.25 145.56 93.26 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.254 2.636 . . . . 0.0 111.579 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -78.14 144.11 36.7 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.437 -1.415 . . . . 0.0 109.492 175.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -118.99 31.2 6.76 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.88 37.23 69.15 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.5 0.572 . . . . 0.0 112.994 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.66 7.19 0.67 Allowed 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 128.806 2.842 . . . . 0.0 114.714 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.0 m -70.57 118.1 12.94 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.292 -1.505 . . . . 0.0 111.435 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.9 m -122.52 109.45 14.35 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.71 1.204 . . . . 0.0 110.28 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mp -120.25 144.49 47.74 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.328 1.851 . . . . 0.0 113.52 -175.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -93.11 -4.86 51.54 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.711 1.604 . . . . 0.0 113.293 176.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -145.3 154.07 41.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.317 1.047 . . . . 0.0 113.176 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.89 -169.77 14.32 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.458 1.504 . . . . 0.0 115.138 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.3 m -156.55 114.44 3.26 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 127.645 2.378 . . . . 0.0 107.643 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -73.79 78.27 1.58 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 -173.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.7 mt -51.28 -30.0 16.52 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.0 mt -70.69 -19.09 62.8 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.928 0.891 . . . . 0.0 113.306 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -102.95 -33.62 9.24 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.524 1.129 . . . . 0.0 109.537 175.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -65.89 109.61 2.57 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.714 0.688 . . . . 0.0 109.981 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.9 p -90.61 6.82 42.19 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.235 1.014 . . . . 0.0 112.147 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.24 151.2 27.72 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.55 1.548 . . . . 0.0 109.519 -174.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.52 170.47 0.1 Allowed 'General case' 0 C--O 1.239 0.521 0 C-N-CA 125.924 1.689 . . . . 0.0 114.216 -177.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.96 -11.86 5.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.374 171.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.4 t -73.4 -35.42 45.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 119.801 1.182 . . . . 0.0 109.079 171.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 p -131.31 -17.69 2.97 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 116.129 1.899 . . . . 0.0 116.129 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 82.12 14.66 0.49 Allowed 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -81.81 147.2 29.5 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.106 -1.621 . . . . 0.0 113.166 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -121.86 160.73 24.12 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.635 1.574 . . . . 0.0 109.999 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.269 4.0 p30 52.34 26.56 4.16 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.229 1.811 . . . . 0.0 114.875 -175.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.42 99.32 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 128.914 2.886 . . . . 0.0 111.246 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.11 150.05 18.19 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 176.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.44 167.09 16.73 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 131.206 3.803 . . . . 0.0 109.157 178.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.4 mt -128.76 135.66 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 125.939 1.696 . . . . 0.0 106.983 176.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.5 172.88 13.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.532 0.733 . . . . 0.0 111.754 178.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER 57.32 14.21 2.05 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.35 2.26 . . . . 0.0 115.575 178.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 tttp -50.38 110.4 0.4 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.912 2.085 . . . . 0.0 113.187 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.8 m -107.38 155.95 19.45 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.758 1.623 . . . . 0.0 112.022 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.46 137.78 34.17 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.691 1.596 . . . . 0.0 110.089 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -132.09 146.66 52.2 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.506 1.922 . . . . 0.0 111.559 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -141.0 116.34 10.05 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -118.81 121.53 40.26 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.494 1.518 . . . . 0.0 113.425 173.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 45.77 20.52 0.07 Allowed 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 118.509 2.781 . . . . 0.0 118.509 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.44 -20.69 9.48 Favored Glycine 0 N--CA 1.476 1.353 0 C-N-CA 125.996 1.76 . . . . 0.0 112.984 -177.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -73.95 135.38 43.21 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.586 1.154 . . . . 0.0 108.584 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -118.05 129.84 55.8 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.284 1.434 . . . . 0.0 108.543 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -122.82 139.52 49.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 123.697 0.799 . . . . 0.0 109.282 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.0 t -132.52 118.06 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 124.589 1.156 . . . . 0.0 108.806 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.3 p -122.06 133.12 54.79 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.738 0.815 . . . . 0.0 112.1 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -152.93 -171.13 3.84 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.287 -0.883 . . . . 0.0 113.165 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.7 158.14 44.19 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.844 1.257 . . . . 0.0 109.145 -177.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -112.27 140.71 46.75 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.276 1.43 . . . . 0.0 108.148 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.58 134.19 44.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.703 1.201 . . . . 0.0 111.047 -175.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.57 123.25 16.26 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.485 1.114 . . . . 0.0 110.717 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -62.61 -13.53 32.58 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.098 -1.626 . . . . 0.0 111.778 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -94.85 -67.97 0.83 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.507 1.123 . . . . 0.0 111.669 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.51 -6.14 50.36 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 72.9 m80 53.16 20.89 1.96 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.335 1.854 . . . . 0.0 115.115 -177.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.95 146.78 52.47 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.097 1.359 . . . . 0.0 107.583 169.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.6 t -75.59 105.33 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 O-C-N 121.526 -0.734 . . . . 0.0 109.879 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.0 mt -61.54 -45.48 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.444 1.498 . . . . 0.0 111.145 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.84 167.39 20.84 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.596 1.158 . . . . 0.0 112.478 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -114.97 141.11 48.43 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.794 1.638 . . . . 0.0 109.061 174.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.59 138.98 54.45 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.127 1.771 . . . . 0.0 112.428 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -139.13 132.64 30.32 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.7 1.2 . . . . 0.0 108.787 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -131.94 125.87 32.67 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.02 135.77 50.33 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -129.36 128.75 43.71 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.047 0.939 . . . . 0.0 110.294 -178.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -129.73 142.88 50.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.236 1.814 . . . . 0.0 113.702 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mt -109.84 121.93 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 O-C-N 120.954 -1.091 . . . . 0.0 109.662 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.7 24.62 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.899 1.28 . . . . 0.0 114.169 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.5 t0 51.53 -68.78 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 128.459 2.703 . . . . 0.0 117.409 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -135.47 6.59 3.27 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.881 2.072 . . . . 0.0 112.084 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -132.7 170.84 14.65 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 120.71 -1.244 . . . . 0.0 109.877 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -121.82 143.45 49.4 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 125.417 1.487 . . . . 0.0 109.355 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -121.72 129.28 52.61 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 126.824 2.05 . . . . 0.0 109.46 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -121.59 130.15 53.32 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 125.014 1.326 . . . . 0.0 109.302 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.82 142.17 36.66 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 122.097 0.951 . . . . 0.0 109.484 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 ttp -138.37 145.62 41.3 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 125.758 1.623 . . . . 0.0 109.495 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 tp -151.89 105.55 3.12 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.133 1.773 . . . . 0.0 110.293 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.9 t -142.3 136.9 30.2 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.273 1.829 . . . . 0.0 110.012 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.52 -34.12 72.23 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.196 0.998 . . . . 0.0 111.851 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 tp -96.33 -63.19 1.17 Allowed 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.973 1.309 . . . . 0.0 111.248 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 79.6 m -64.27 -37.82 88.85 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.836 0.854 . . . . 0.0 113.26 -173.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.25 175.16 13.97 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 117.65 1.82 . . . . 0.0 117.65 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.38 118.31 34.2 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.238 1.415 . . . . 0.0 110.215 174.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.76 157.19 44.56 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -150.24 137.79 19.81 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.334 1.054 . . . . 0.0 110.939 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -141.81 152.4 43.68 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.164 1.785 . . . . 0.0 111.706 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.47 132.66 37.65 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.844 -0.535 . . . . 0.0 110.464 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.3 mt -122.19 128.16 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.398 1.479 . . . . 0.0 111.26 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.472 0.642 0 O-C-N 121.185 -0.947 . . . . 0.0 110.308 174.591 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.94 -33.99 1.05 Allowed Glycine 0 CA--C 1.53 1.02 0 C-N-CA 126.947 2.213 . . . . 0.0 111.795 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.37 -17.15 64.6 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 117.901 0.85 . . . . 0.0 110.049 169.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.4 m -63.14 -26.28 68.74 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.794 1.638 . . . . 0.0 112.764 175.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m -112.13 140.05 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.146 0.978 . . . . 0.0 111.964 -174.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.71 -38.74 92.02 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.921 -1.112 . . . . 0.0 111.109 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -136.56 143.59 43.75 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.551 1.94 . . . . 0.0 109.48 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -81.35 125.08 29.95 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.102 0.961 . . . . 0.0 109.26 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 45.8 59.68 14.72 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 124.891 1.276 . . . . 0.0 113.199 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -63.19 145.19 93.27 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.176 2.584 . . . . 0.0 111.297 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -78.22 143.9 36.73 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.291 -1.506 . . . . 0.0 109.64 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -116.54 31.19 6.88 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.22 12.51 12.33 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.034 1.778 . . . . 0.0 116.653 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 121.25 -2.9 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.129 1 C-N-CA 132.602 4.361 . . . . 0.0 115.589 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.6 m -64.4 116.36 6.01 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 120.936 -1.103 . . . . 0.0 112.813 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.6 m -122.06 109.68 14.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.82 1.248 . . . . 0.0 110.194 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -119.64 145.68 46.23 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.229 1.811 . . . . 0.0 113.591 -175.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.52 -5.64 45.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.417 1.887 . . . . 0.0 113.243 176.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -148.37 152.15 36.53 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.488 1.115 . . . . 0.0 112.56 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.98 -176.18 16.21 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.462 1.506 . . . . 0.0 114.447 177.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.5 m -150.35 117.72 6.06 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.656 2.382 . . . . 0.0 108.05 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.11 77.32 2.27 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -174.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.6 mt -52.77 -25.26 10.72 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.95 1.834 . . . . 0.0 115.95 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.8 mt -74.59 -17.4 60.72 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.967 0.907 . . . . 0.0 112.93 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -104.44 -32.37 9.05 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.606 1.162 . . . . 0.0 110.386 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -66.14 104.37 1.15 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.513 0.597 . . . . 0.0 111.291 177.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.3 p -82.05 -2.29 51.3 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 121.059 -1.026 . . . . 0.0 112.911 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.22 149.34 22.84 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 126.077 1.799 . . . . 0.0 109.157 -175.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.7 t -52.83 167.22 0.16 Allowed 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.449 1.5 . . . . 0.0 113.99 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.17 -11.51 6.41 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 124.287 1.035 . . . . 0.0 112.438 172.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.6 t -72.85 -34.85 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 119.765 1.166 . . . . 0.0 108.946 171.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 p -131.73 -16.0 3.01 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 83.07 18.9 0.24 Allowed 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -91.59 138.99 31.12 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 119.937 -1.727 . . . . 0.0 114.098 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -112.76 161.39 16.95 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 126.191 1.796 . . . . 0.0 109.575 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.263 4.1 p30 51.55 27.17 3.71 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.429 1.892 . . . . 0.0 114.984 -175.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -123.72 98.74 5.96 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 128.713 2.805 . . . . 0.0 111.25 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.16 150.11 16.37 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 176.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.06 165.12 20.1 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 131.018 3.727 . . . . 0.0 108.981 178.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.5 mt -126.93 134.44 66.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 175.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.0 176.7 10.22 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.524 0.73 . . . . 0.0 111.257 178.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.0 t30 58.24 18.38 5.35 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.829 1.251 . . . . 0.0 113.668 173.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -58.25 113.99 2.2 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 127.017 2.127 . . . . 0.0 112.698 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.3 m -107.52 155.97 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 125.871 1.668 . . . . 0.0 111.754 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -139.71 137.82 35.47 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.59 1.556 . . . . 0.0 109.69 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -132.05 146.64 52.19 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 126.269 1.828 . . . . 0.0 111.491 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -139.18 116.43 11.13 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 117.923 0.328 . . . . 0.0 111.622 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -118.94 121.48 40.04 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.117 1.367 . . . . 0.0 113.233 173.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 45.07 20.69 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 118.545 2.794 . . . . 0.0 118.545 172.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.45 -21.2 9.3 Favored Glycine 0 N--CA 1.477 1.379 0 C-N-CA 126.159 1.837 . . . . 0.0 113.19 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -73.89 136.91 43.4 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.975 1.31 . . . . 0.0 108.923 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -118.04 129.88 55.83 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 125.544 1.538 . . . . 0.0 108.684 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.6 mp -123.05 138.44 53.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 124.058 0.943 . . . . 0.0 109.423 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.5 t -132.4 118.2 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 124.683 1.193 . . . . 0.0 108.9 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.2 p -122.02 134.6 54.8 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.812 0.845 . . . . 0.0 111.704 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -153.43 -168.72 3.09 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.989 -1.069 . . . . 0.0 113.161 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -141.73 158.33 43.94 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.583 1.153 . . . . 0.0 110.532 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -109.26 138.6 45.37 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 172.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mp -132.85 131.77 41.38 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.722 1.209 . . . . 0.0 110.068 -175.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -57.84 124.06 17.9 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.57 1.148 . . . . 0.0 111.379 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -63.43 -12.63 32.66 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.245 -1.534 . . . . 0.0 111.708 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -97.19 -61.71 1.36 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.379 1.072 . . . . 0.0 112.481 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.0 p -99.99 -4.58 29.76 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.298 57.8 m80 52.49 19.43 1.18 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.527 1.931 . . . . 0.0 115.113 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.14 147.19 53.42 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 169.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.9 t -76.32 101.11 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 O-C-N 121.597 -0.689 . . . . 0.0 110.281 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.0 mt -57.45 -46.53 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.479 1.512 . . . . 0.0 111.337 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.69 165.1 26.09 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.483 1.113 . . . . 0.0 111.859 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -112.84 143.06 44.75 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.416 1.486 . . . . 0.0 108.341 174.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -125.47 138.42 54.0 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.313 1.445 . . . . 0.0 112.033 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -139.24 132.43 29.78 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.579 1.152 . . . . 0.0 108.738 174.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -131.55 126.12 34.07 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.59 135.84 49.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -129.13 125.91 38.15 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.151 0.98 . . . . 0.0 110.036 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.0 142.88 51.44 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.616 1.966 . . . . 0.0 113.725 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -110.47 122.73 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 O-C-N 121.09 -1.006 . . . . 0.0 110.182 174.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.8 24.81 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.915 1.286 . . . . 0.0 113.093 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 50.73 -77.1 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 127.865 2.466 . . . . 0.0 116.064 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -131.06 10.54 4.97 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.48 1.912 . . . . 0.0 112.119 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -131.07 170.27 14.73 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.665 -1.272 . . . . 0.0 109.141 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -124.89 143.5 50.82 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 125.239 1.416 . . . . 0.0 109.347 177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -121.42 129.3 52.92 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 126.629 1.972 . . . . 0.0 109.37 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -121.01 129.92 53.58 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 124.974 1.309 . . . . 0.0 108.997 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.9 142.51 36.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.14 0.972 . . . . 0.0 109.33 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 ttp -138.0 145.02 41.39 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 125.735 1.614 . . . . 0.0 109.157 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.4 tp -151.18 104.96 3.17 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.243 1.817 . . . . 0.0 110.08 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 37.0 t -141.87 136.85 30.93 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 126.27 1.828 . . . . 0.0 109.964 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.0 tp -59.87 -33.84 72.35 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.166 0.986 . . . . 0.0 111.925 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -96.4 -62.83 1.21 Allowed 'General case' 0 C--O 1.231 0.116 0 C-N-CA 125.067 1.347 . . . . 0.0 111.299 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 84.9 m -64.63 -38.91 92.63 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.873 0.869 . . . . 0.0 113.122 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.98 174.93 13.84 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 117.671 1.828 . . . . 0.0 117.671 173.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -113.2 117.16 31.14 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.118 1.367 . . . . 0.0 109.827 174.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.67 157.28 44.52 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -150.05 138.78 20.82 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.222 1.009 . . . . 0.0 111.208 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -141.76 152.41 43.76 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.255 1.822 . . . . 0.0 111.77 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.58 134.19 39.09 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.818 -0.551 . . . . 0.0 110.517 174.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.7 mt -122.14 127.66 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.235 1.414 . . . . 0.0 111.088 -177.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.469 0.523 0 O-C-N 121.386 -0.821 . . . . 0.0 108.925 173.17 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.75 -33.81 1.02 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 126.933 2.206 . . . . 0.0 111.793 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -65.74 -19.12 65.78 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 117.957 0.879 . . . . 0.0 109.88 169.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.9 m -62.1 -25.61 67.82 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.199 1.8 . . . . 0.0 113.159 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.3 m -112.04 138.63 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.406 1.082 . . . . 0.0 111.716 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -64.06 -38.65 91.86 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.484 1.114 . . . . 0.0 110.953 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -137.1 143.91 42.79 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.55 1.94 . . . . 0.0 109.459 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -81.28 124.88 29.7 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.185 0.994 . . . . 0.0 109.305 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 46.12 59.91 14.82 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 124.857 1.263 . . . . 0.0 113.172 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -62.72 146.59 95.21 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.196 2.598 . . . . 0.0 111.617 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -76.38 145.25 39.53 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.722 -1.236 . . . . 0.0 109.181 175.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -119.99 28.73 7.92 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -175.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.85 37.11 68.4 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.323 0.487 . . . . 0.0 113.026 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 81.42 7.91 1.09 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 128.762 2.825 . . . . 0.0 114.851 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.2 m -71.27 117.61 13.01 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.24 -1.538 . . . . 0.0 111.412 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.8 m -121.65 109.53 14.87 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.519 1.128 . . . . 0.0 110.426 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 mp -120.95 148.91 43.43 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.894 1.678 . . . . 0.0 114.071 -174.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.41 2.28 39.28 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.598 2.359 . . . . 0.0 112.789 176.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -141.51 159.07 42.97 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.373 1.469 . . . . 0.0 113.109 -176.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.01 -173.93 35.18 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.104 1.335 . . . . 0.0 116.36 174.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 m -145.49 133.41 21.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 128.103 2.561 . . . . 0.0 108.521 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -86.27 74.25 10.04 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.1 -25.56 13.42 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.1 mt -71.21 -19.97 62.32 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.262 1.025 . . . . 0.0 113.163 175.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -101.4 -33.5 9.97 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.651 1.18 . . . . 0.0 110.071 174.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -65.2 111.91 3.18 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.771 -0.581 . . . . 0.0 110.245 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.9 p -90.09 2.76 54.9 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.479 1.112 . . . . 0.0 112.298 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.49 149.98 26.29 Favored Glycine 0 CA--C 1.534 1.244 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -174.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.4 t -53.43 168.66 0.15 Allowed 'General case' 0 C--O 1.239 0.547 0 C-N-CA 125.409 1.483 . . . . 0.0 114.106 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.52 -11.69 6.19 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 124.35 1.06 . . . . 0.0 112.424 171.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.0 t -73.45 -35.4 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 119.758 1.163 . . . . 0.0 109.044 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.1 p -131.18 -16.55 3.15 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 81.38 16.25 0.52 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -84.23 146.89 27.56 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.105 -1.622 . . . . 0.0 113.235 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -122.1 162.27 21.57 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.635 1.574 . . . . 0.0 109.851 174.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.283 4.0 p30 52.85 26.09 4.35 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.187 1.795 . . . . 0.0 114.812 -175.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -123.84 99.4 6.26 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 128.751 2.82 . . . . 0.0 111.572 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.36 150.31 17.97 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 175.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.52 166.08 18.65 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 131.336 3.854 . . . . 0.0 109.163 178.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.5 mt -128.92 135.05 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 125.842 1.657 . . . . 0.0 106.759 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.92 172.76 13.67 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.356 0.662 . . . . 0.0 111.848 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.279 0.0 OUTLIER 58.8 14.86 3.45 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 127.521 2.328 . . . . 0.0 115.004 178.822 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -51.68 111.21 0.56 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.719 2.008 . . . . 0.0 113.028 -178.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.6 m -107.48 156.06 19.39 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 125.44 1.496 . . . . 0.0 112.102 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.08 137.82 34.84 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.684 1.593 . . . . 0.0 110.046 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -131.85 146.64 52.24 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 126.435 1.894 . . . . 0.0 111.065 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -138.44 116.22 11.49 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.833 0.349 . . . . 0.0 110.7 175.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -118.84 121.47 40.09 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.346 1.458 . . . . 0.0 113.268 174.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 45.41 20.96 0.06 Allowed 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 118.374 2.731 . . . . 0.0 118.374 172.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.86 -21.16 9.71 Favored Glycine 0 N--CA 1.477 1.369 0 C-N-CA 126.25 1.881 . . . . 0.0 113.26 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -74.97 137.16 41.4 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.007 1.323 . . . . 0.0 108.984 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -117.93 129.79 55.83 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.696 1.598 . . . . 0.0 108.679 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.99 139.5 50.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 123.96 0.904 . . . . 0.0 109.433 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.0 t -132.53 118.17 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.814 1.246 . . . . 0.0 108.929 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.9 p -121.93 135.33 54.86 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.426 0.691 . . . . 0.0 112.123 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -153.45 -171.08 3.79 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 178.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.69 158.16 44.16 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.096 1.358 . . . . 0.0 108.776 -178.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -112.52 141.34 46.39 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.158 1.383 . . . . 0.0 107.927 176.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.98 134.47 44.53 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.557 1.143 . . . . 0.0 110.968 -175.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -59.93 123.81 18.22 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.335 1.054 . . . . 0.0 110.597 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -63.11 -12.76 29.46 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 120.155 -1.591 . . . . 0.0 111.832 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -95.63 -68.32 0.81 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.581 1.152 . . . . 0.0 111.597 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.6 p -91.97 -6.45 51.24 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 71.9 m80 53.49 20.43 2.05 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 126.347 1.859 . . . . 0.0 115.061 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.18 146.65 53.2 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.965 1.306 . . . . 0.0 107.66 169.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.6 t -75.5 105.27 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 O-C-N 121.71 -0.618 . . . . 0.0 109.96 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.6 -45.37 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.415 1.486 . . . . 0.0 111.157 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.59 167.29 21.46 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.547 1.139 . . . . 0.0 112.454 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -115.25 140.59 48.97 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.783 1.633 . . . . 0.0 109.038 174.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -122.63 138.87 54.46 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.126 1.771 . . . . 0.0 112.453 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -140.15 131.05 26.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.451 1.1 . . . . 0.0 108.966 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -130.13 126.45 37.56 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 173.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.93 135.81 49.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.899 0.857 . . . . 0.0 108.74 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -128.58 126.86 41.17 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.103 0.961 . . . . 0.0 110.022 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.45 142.86 51.3 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.502 1.921 . . . . 0.0 113.645 -176.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.1 122.02 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.154 -0.967 . . . . 0.0 109.815 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.3 ptp -119.41 115.69 24.62 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.654 1.181 . . . . 0.0 113.16 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 49.49 -76.33 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 127.875 2.47 . . . . 0.0 116.787 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -130.7 12.81 5.36 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.174 2.19 . . . . 0.0 112.097 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -136.58 168.81 18.78 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 120.984 -1.073 . . . . 0.0 109.295 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -122.27 143.53 49.55 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.017 1.327 . . . . 0.0 109.462 175.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -121.7 130.93 53.8 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 126.745 2.018 . . . . 0.0 109.782 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -122.02 130.16 53.05 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 125.102 1.361 . . . . 0.0 109.144 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.91 142.61 36.46 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.845 0.831 . . . . 0.0 109.22 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.4 ttp -137.57 145.53 42.95 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 125.83 1.652 . . . . 0.0 109.315 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 tp -152.04 105.39 3.07 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.115 1.766 . . . . 0.0 110.318 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.2 t -141.96 136.62 30.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.218 1.807 . . . . 0.0 109.953 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.8 tp -59.58 -34.4 72.66 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.045 0.938 . . . . 0.0 111.851 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.0 tp -95.71 -63.48 1.15 Allowed 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.855 1.262 . . . . 0.0 110.975 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 72.9 m -64.25 -37.3 86.98 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -173.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.31 175.16 14.0 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 117.559 1.784 . . . . 0.0 117.559 172.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -111.76 120.81 43.26 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.185 1.394 . . . . 0.0 110.017 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.78 157.22 44.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -150.91 137.82 19.06 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.978 0.911 . . . . 0.0 110.79 174.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -141.89 152.43 43.57 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.019 1.728 . . . . 0.0 111.542 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.46 135.54 40.59 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.786 -0.571 . . . . 0.0 110.547 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.2 mt -122.19 125.42 72.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.836 1.254 . . . . 0.0 110.406 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.469 0.524 0 O-C-N 121.785 -0.572 . . . . 0.0 109.924 174.301 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.19 -34.89 1.09 Allowed Glycine 0 CA--C 1.532 1.103 0 C-N-CA 126.87 2.176 . . . . 0.0 111.358 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -66.15 -18.72 65.52 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.725 -0.867 . . . . 0.0 109.885 169.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 75.0 m -61.63 -26.84 68.25 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.207 1.803 . . . . 0.0 112.84 174.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 m -111.19 139.67 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.319 1.048 . . . . 0.0 111.847 -174.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.6 -40.71 95.99 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.939 1.296 . . . . 0.0 110.467 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -134.31 141.84 47.06 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 127.041 2.136 . . . . 0.0 109.27 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -81.89 123.56 28.95 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.616 0.766 . . . . 0.0 109.057 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 47.29 60.14 15.56 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.726 1.21 . . . . 0.0 113.083 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -62.81 146.45 95.05 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.247 2.632 . . . . 0.0 111.407 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -78.24 145.34 35.53 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.632 -1.292 . . . . 0.0 109.424 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.7 mmm-85 -119.18 28.79 8.03 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -174.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.55 37.25 74.52 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.325 0.488 . . . . 0.0 112.908 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 81.99 7.57 0.98 Allowed 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 128.676 2.791 . . . . 0.0 114.746 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.8 m -70.83 118.68 13.91 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.33 -1.481 . . . . 0.0 111.521 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.9 m -122.36 110.02 15.13 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.671 1.188 . . . . 0.0 110.349 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -118.83 144.66 46.21 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.315 1.846 . . . . 0.0 113.915 -175.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.24 -7.35 39.21 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.944 2.098 . . . . 0.0 113.585 177.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -148.23 147.87 29.86 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.816 1.246 . . . . 0.0 111.469 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.63 -173.92 18.12 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.912 1.244 . . . . 0.0 115.118 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 m -152.67 128.6 10.29 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.855 2.462 . . . . 0.0 108.446 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -87.95 75.84 8.74 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -175.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.46 -25.54 16.69 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.91 -18.61 62.02 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.98 0.912 . . . . 0.0 113.143 175.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -102.99 -33.71 9.19 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.783 1.233 . . . . 0.0 109.661 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -65.16 111.18 2.82 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.507 -0.745 . . . . 0.0 110.169 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.0 p -90.39 2.82 55.21 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.288 1.035 . . . . 0.0 112.334 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.2 148.98 24.86 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.238 1.399 . . . . 0.0 109.686 -175.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.452 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 7.2 t -53.35 166.87 0.23 Allowed 'General case' 0 C--O 1.239 0.527 0 C-N-CA 125.38 1.472 . . . . 0.0 114.136 -177.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.36 -11.59 6.87 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.313 1.045 . . . . 0.0 112.295 172.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.65 -35.23 43.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 119.817 1.19 . . . . 0.0 109.139 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.6 p -131.92 -14.98 3.06 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 79.45 21.19 0.62 Allowed 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -89.58 146.22 24.72 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 119.814 -1.804 . . . . 0.0 113.104 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -121.68 162.34 20.91 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.606 1.562 . . . . 0.0 109.944 174.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.285 4.0 p30 52.9 26.19 4.48 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.134 1.774 . . . . 0.0 114.852 -175.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -123.77 99.61 6.36 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 128.81 2.844 . . . . 0.0 111.448 -177.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.24 150.06 17.97 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 175.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.16 166.17 18.18 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 131.333 3.853 . . . . 0.0 109.346 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.6 mt -128.39 134.06 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 126.002 1.721 . . . . 0.0 106.878 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.95 171.48 15.18 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.267 0.627 . . . . 0.0 111.572 178.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.281 0.0 OUTLIER 58.22 13.92 2.56 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 127.292 2.237 . . . . 0.0 115.134 179.121 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -51.95 108.1 0.25 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 127.256 2.223 . . . . 0.0 112.43 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.7 m -107.48 156.15 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.575 1.55 . . . . 0.0 112.515 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tt -139.79 137.76 35.29 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.15 1.38 . . . . 0.0 110.606 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -132.08 146.65 52.19 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 127.138 2.175 . . . . 0.0 111.233 -178.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -139.05 116.35 11.14 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.804 0.335 . . . . 0.0 111.487 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -118.92 121.39 39.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.26 1.424 . . . . 0.0 113.356 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 46.03 20.67 0.08 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 118.372 2.73 . . . . 0.0 118.372 172.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.63 -21.12 9.91 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 126.204 1.859 . . . . 0.0 113.212 -177.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -74.78 136.2 41.68 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.761 1.224 . . . . 0.0 108.781 174.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -118.06 129.82 55.78 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.543 1.537 . . . . 0.0 108.632 176.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.65 139.2 50.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 123.875 0.87 . . . . 0.0 109.446 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.5 t -132.42 118.2 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 124.995 1.318 . . . . 0.0 109.002 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.8 p -121.96 135.67 54.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.381 0.673 . . . . 0.0 111.743 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -152.23 -172.34 4.2 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.179 -0.95 . . . . 0.0 113.193 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.7 158.18 44.14 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.838 1.255 . . . . 0.0 108.616 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -112.84 141.35 46.75 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.035 1.334 . . . . 0.0 108.069 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.97 134.73 44.88 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.573 1.149 . . . . 0.0 110.996 -175.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -60.33 123.7 18.05 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.293 1.037 . . . . 0.0 110.721 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -62.94 -13.46 34.88 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.064 -1.647 . . . . 0.0 111.712 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -94.94 -67.91 0.83 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.443 1.097 . . . . 0.0 111.62 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.2 p -92.56 -6.29 49.9 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -177.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 73.3 m80 53.52 20.71 2.18 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.407 1.883 . . . . 0.0 115.045 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.15 146.59 53.28 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 169.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 80.7 t -75.8 104.69 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 O-C-N 121.647 -0.658 . . . . 0.0 109.881 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.9 -45.94 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.678 1.591 . . . . 0.0 111.24 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.14 167.84 21.63 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.615 1.166 . . . . 0.0 112.579 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.53 140.4 49.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.805 1.642 . . . . 0.0 109.129 174.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -122.44 139.83 53.41 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.309 1.844 . . . . 0.0 112.642 -177.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -140.18 133.36 29.65 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.625 1.17 . . . . 0.0 108.909 174.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -132.49 125.89 31.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 173.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.65 135.78 49.76 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -128.94 127.74 42.35 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.199 0.999 . . . . 0.0 110.286 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.81 142.87 50.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.369 1.868 . . . . 0.0 113.753 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -109.98 121.99 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 O-C-N 121.127 -0.983 . . . . 0.0 110.028 175.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.37 115.74 24.74 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.883 1.273 . . . . 0.0 113.903 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.7 t0 52.67 -70.63 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.421 2.688 . . . . 0.0 116.703 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -137.16 8.96 2.97 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.698 1.999 . . . . 0.0 111.956 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.1 170.28 14.22 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 120.815 -1.178 . . . . 0.0 109.213 -175.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -123.35 143.49 50.06 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.088 1.355 . . . . 0.0 109.321 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -121.63 129.38 52.77 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 126.725 2.01 . . . . 0.0 109.271 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -121.19 129.89 53.44 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.924 1.289 . . . . 0.0 109.129 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.89 141.89 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 122.047 0.927 . . . . 0.0 109.519 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.3 ttp -138.1 145.45 41.69 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 125.794 1.638 . . . . 0.0 109.421 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.65 105.66 3.17 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.228 1.811 . . . . 0.0 110.348 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.2 t -142.12 136.71 30.34 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 126.249 1.82 . . . . 0.0 110.015 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.8 tp -59.5 -34.48 72.65 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.227 1.011 . . . . 0.0 111.743 176.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.4 tp -95.65 -63.7 1.13 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.967 1.307 . . . . 0.0 111.04 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.0 m -64.39 -36.91 85.68 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -173.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.62 174.73 13.85 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 117.858 1.903 . . . . 0.0 117.858 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -113.09 118.42 34.72 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.259 1.424 . . . . 0.0 110.191 174.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.77 157.24 44.52 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -150.87 137.75 19.05 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.265 1.026 . . . . 0.0 111.121 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -141.74 152.49 43.86 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.187 1.795 . . . . 0.0 111.693 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.5 133.7 38.74 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.792 -0.567 . . . . 0.0 110.55 174.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.2 mt -122.25 126.84 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.233 1.413 . . . . 0.0 111.124 -177.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.2 p . . . . . 0 N--CA 1.471 0.615 0 O-C-N 121.208 -0.932 . . . . 0.0 109.099 173.155 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.7 -33.81 1.01 Allowed Glycine 0 CA--C 1.531 1.057 0 C-N-CA 126.907 2.194 . . . . 0.0 111.888 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.46 -18.25 65.25 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 118.11 0.955 . . . . 0.0 109.975 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.2 m -61.8 -27.06 68.49 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.925 1.69 . . . . 0.0 112.908 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 m -111.09 139.0 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.69 1.196 . . . . 0.0 111.72 -174.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.04 -38.25 90.25 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.921 -1.112 . . . . 0.0 111.228 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -137.07 144.15 42.98 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.58 1.952 . . . . 0.0 109.369 175.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -81.63 124.64 29.72 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.077 0.951 . . . . 0.0 109.321 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 45.96 59.71 14.88 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 124.944 1.298 . . . . 0.0 113.43 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -63.2 145.14 93.23 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.283 2.656 . . . . 0.0 111.681 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -76.48 143.04 40.74 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.916 -1.115 . . . . 0.0 109.262 176.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.53 31.05 6.76 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -175.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.9 36.7 67.44 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 123.371 0.51 . . . . 0.0 113.146 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 83.19 7.85 0.7 Allowed 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 128.694 2.797 . . . . 0.0 114.779 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.0 m -70.84 117.75 12.75 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.247 -1.533 . . . . 0.0 111.595 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.2 m -121.64 109.8 15.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.48 1.112 . . . . 0.0 110.417 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.28 144.85 46.57 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.312 1.845 . . . . 0.0 113.618 -175.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -96.13 -2.09 47.17 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.372 1.469 . . . . 0.0 113.128 176.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -148.96 155.19 40.47 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.346 1.058 . . . . 0.0 112.718 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.07 -174.98 15.66 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.676 1.608 . . . . 0.0 114.324 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.4 m -150.18 116.94 5.85 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.472 2.309 . . . . 0.0 108.052 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -74.12 77.71 1.75 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 -173.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 mt -51.44 -30.15 18.5 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.8 mt -70.37 -20.19 62.97 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.861 0.864 . . . . 0.0 113.286 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -101.04 -33.66 10.06 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.161 0.984 . . . . 0.0 109.788 174.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -65.98 109.9 2.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.263 0.483 . . . . 0.0 110.01 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 p -91.06 7.73 38.99 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.237 1.015 . . . . 0.0 112.224 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.67 150.79 26.85 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.29 1.424 . . . . 0.0 109.631 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.1 t -53.56 170.06 0.12 Allowed 'General case' 0 C--O 1.24 0.556 0 C-N-CA 125.785 1.634 . . . . 0.0 114.268 -177.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.33 -11.58 5.73 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.377 171.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -73.9 -35.36 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 119.702 1.137 . . . . 0.0 109.003 171.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.0 p -131.68 -17.08 2.9 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 82.02 14.31 0.52 Allowed 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -82.24 145.49 30.0 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 119.971 -1.706 . . . . 0.0 113.184 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -119.97 160.66 22.32 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.798 1.639 . . . . 0.0 110.027 175.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.2 26.69 4.1 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.314 1.846 . . . . 0.0 114.934 -175.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.41 98.96 6.17 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 128.751 2.82 . . . . 0.0 111.372 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.49 150.45 19.62 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 176.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.16 166.23 18.07 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 131.283 3.833 . . . . 0.0 108.994 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 88.9 mt -128.78 134.96 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.839 1.656 . . . . 0.0 106.855 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.64 173.17 12.99 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.278 0.631 . . . . 0.0 111.911 178.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.281 0.0 OUTLIER 57.43 16.54 3.28 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.396 2.278 . . . . 0.0 115.184 178.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -53.2 112.99 0.98 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.671 1.988 . . . . 0.0 113.291 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.2 m -107.44 156.16 19.26 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 125.795 1.638 . . . . 0.0 112.104 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -139.69 137.81 35.49 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.724 1.61 . . . . 0.0 109.698 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -132.09 146.63 52.18 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 126.256 1.823 . . . . 0.0 111.451 -178.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -139.22 116.41 11.1 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.753 0.311 . . . . 0.0 111.647 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.85 121.42 39.96 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.049 1.34 . . . . 0.0 113.302 173.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 44.98 20.98 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 118.401 2.741 . . . . 0.0 118.401 172.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.19 -21.16 9.48 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 126.184 1.85 . . . . 0.0 113.253 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -73.75 136.76 43.67 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.95 1.3 . . . . 0.0 108.901 174.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -118.02 129.79 55.79 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.431 1.492 . . . . 0.0 108.704 176.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.14 138.61 52.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 124.056 0.942 . . . . 0.0 109.497 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.8 t -132.46 118.1 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.672 1.189 . . . . 0.0 108.894 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.4 p -121.89 134.99 54.86 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.683 0.793 . . . . 0.0 111.979 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -154.19 -171.27 3.81 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.079 -1.013 . . . . 0.0 113.525 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.67 158.21 44.1 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.844 1.257 . . . . 0.0 109.099 -178.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -112.46 141.33 46.34 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.167 1.387 . . . . 0.0 108.389 177.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.45 134.78 45.5 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.712 1.205 . . . . 0.0 111.023 -176.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.76 123.4 16.85 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.457 1.103 . . . . 0.0 110.593 177.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -63.06 -13.42 35.67 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.128 -1.607 . . . . 0.0 111.637 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -94.91 -68.13 0.82 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.454 1.102 . . . . 0.0 111.647 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.6 p -92.1 -6.36 51.02 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 73.3 m80 53.67 21.04 2.43 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.374 1.87 . . . . 0.0 114.948 -177.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.11 146.82 52.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.123 1.369 . . . . 0.0 107.572 169.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 80.8 t -75.56 104.81 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 O-C-N 121.502 -0.749 . . . . 0.0 109.986 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.42 -45.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.516 1.526 . . . . 0.0 111.208 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.35 168.75 20.01 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.487 1.115 . . . . 0.0 112.778 -175.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.93 140.2 49.75 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.067 1.747 . . . . 0.0 109.245 174.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -123.06 139.73 53.76 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 126.102 1.761 . . . . 0.0 112.725 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -140.19 133.1 29.26 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.624 1.17 . . . . 0.0 108.703 174.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -131.98 126.66 34.53 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 174.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.28 135.85 49.3 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -129.22 127.42 41.24 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.146 0.978 . . . . 0.0 109.926 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.29 142.94 50.99 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.387 1.875 . . . . 0.0 113.51 -176.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.3 mt -109.76 121.97 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 O-C-N 121.0 -1.062 . . . . 0.0 109.75 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.43 115.68 24.57 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.811 1.245 . . . . 0.0 114.133 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.2 t0 51.27 -68.62 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 128.483 2.713 . . . . 0.0 117.457 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -135.36 6.23 3.28 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.931 2.092 . . . . 0.0 112.178 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -132.59 170.7 14.81 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.77 -1.206 . . . . 0.0 109.929 -175.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -121.83 143.52 49.36 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 125.039 1.336 . . . . 0.0 109.398 175.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -121.87 130.97 53.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 126.84 2.056 . . . . 0.0 109.461 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -122.45 130.43 53.06 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 124.97 1.308 . . . . 0.0 109.2 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.9 142.98 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 122.078 0.942 . . . . 0.0 109.581 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 53.3 ttp -138.86 145.04 39.51 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 125.871 1.668 . . . . 0.0 109.328 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 tp -151.98 105.27 3.07 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.897 1.679 . . . . 0.0 110.296 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.7 t -141.99 136.81 30.68 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.361 1.864 . . . . 0.0 110.1 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.1 tp -59.16 -34.48 72.14 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.265 1.026 . . . . 0.0 111.817 176.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -96.15 -63.71 1.12 Allowed 'General case' 0 C--O 1.231 0.12 0 C-N-CA 125.021 1.328 . . . . 0.0 111.315 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 75.5 m -63.8 -37.47 87.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -173.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.55 175.27 14.03 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 172.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -112.41 118.7 35.9 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.699 1.6 . . . . 0.0 110.285 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.78 157.24 44.52 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -150.78 137.71 19.11 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.186 0.994 . . . . 0.0 110.86 174.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -141.75 152.47 43.83 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.32 1.848 . . . . 0.0 111.84 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.23 132.59 36.06 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.823 -0.548 . . . . 0.0 110.692 174.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.6 mt -122.22 127.29 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.365 1.466 . . . . 0.0 111.155 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.0 p . . . . . 0 N--CA 1.471 0.616 0 O-C-N 121.224 -0.923 . . . . 0.0 110.271 174.277 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.75 -34.05 1.02 Allowed Glycine 0 CA--C 1.531 1.057 0 C-N-CA 127.021 2.248 . . . . 0.0 111.834 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -66.0 -18.33 65.27 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 118.033 0.917 . . . . 0.0 109.998 169.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.93 -26.77 68.38 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.736 1.614 . . . . 0.0 112.855 175.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 m -111.33 138.79 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.375 1.07 . . . . 0.0 112.197 -174.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.99 -40.19 94.59 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.861 1.265 . . . . 0.0 110.693 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -134.7 138.8 44.71 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.626 1.971 . . . . 0.0 108.969 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.09 124.65 29.39 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.693 0.797 . . . . 0.0 109.272 175.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 46.1 59.88 14.83 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 124.844 1.258 . . . . 0.0 113.027 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -62.98 144.51 93.19 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.42 2.747 . . . . 0.0 111.615 -178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -77.29 144.3 38.21 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.358 -1.464 . . . . 0.0 109.43 175.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.6 mmm-85 -116.92 30.01 7.58 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.11 0.964 . . . . 0.0 113.522 -176.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.33 12.67 13.25 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 126.156 1.836 . . . . 0.0 116.604 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 120.21 -2.49 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.132 1 C-N-CA 132.662 4.385 . . . . 0.0 115.576 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.7 m -65.31 117.47 7.9 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 120.881 -1.137 . . . . 0.0 112.737 -175.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.0 m -122.41 108.71 13.51 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.752 1.221 . . . . 0.0 110.121 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -118.83 146.63 44.7 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.043 1.737 . . . . 0.0 113.489 -175.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.41 -6.21 44.61 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.403 1.881 . . . . 0.0 113.209 176.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -148.78 152.45 36.57 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.498 1.119 . . . . 0.0 112.591 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.15 -175.77 16.38 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.535 1.541 . . . . 0.0 114.34 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -151.72 117.49 5.45 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.353 2.261 . . . . 0.0 108.337 176.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -74.86 76.71 2.13 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.3 mt -52.05 -30.43 25.66 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -178.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.8 mt -69.49 -16.48 63.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.72 1.208 . . . . 0.0 113.567 176.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -107.89 -30.68 8.36 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.841 1.256 . . . . 0.0 109.982 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -67.7 112.16 4.65 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.982 0.81 . . . . 0.0 109.96 174.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 p -93.28 8.74 39.12 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.6 1.16 . . . . 0.0 112.537 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.21 150.12 25.42 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.175 1.369 . . . . 0.0 109.909 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.67 169.87 0.13 Allowed 'General case' 0 C--O 1.239 0.52 0 C-N-CA 125.955 1.702 . . . . 0.0 114.094 -177.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.59 -12.04 4.95 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 114.529 -1.214 . . . . 0.0 112.584 171.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 36.6 t -72.94 -35.49 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 119.946 1.248 . . . . 0.0 109.043 171.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.6 p -130.77 -17.62 3.17 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.53 16.73 0.48 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.541 1.936 . . . . 0.0 116.059 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -82.88 149.52 27.06 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 119.73 -1.856 . . . . 0.0 112.895 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -125.48 160.98 28.13 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.607 1.563 . . . . 0.0 109.989 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.274 4.0 p30 52.88 26.06 4.37 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.119 1.768 . . . . 0.0 114.551 -174.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -123.15 98.95 6.11 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 128.918 2.887 . . . . 0.0 111.326 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.06 149.42 15.99 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 176.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.33 166.53 17.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 131.02 3.728 . . . . 0.0 109.172 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.8 mt -127.57 134.34 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 125.629 1.572 . . . . 0.0 106.881 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.61 177.81 9.42 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.692 0.797 . . . . 0.0 111.07 178.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.1 t30 57.63 20.18 6.07 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.627 1.171 . . . . 0.0 113.479 174.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -61.32 114.68 3.32 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 127.182 2.193 . . . . 0.0 112.833 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.5 m -107.53 156.09 19.38 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.822 1.649 . . . . 0.0 111.783 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -139.63 137.7 35.51 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.581 1.552 . . . . 0.0 109.698 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -131.94 146.63 52.21 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 126.576 1.951 . . . . 0.0 111.097 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -138.95 116.32 11.19 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.764 0.316 . . . . 0.0 110.818 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -118.79 121.43 40.05 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.007 1.323 . . . . 0.0 113.096 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 t70 45.01 20.43 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.31 0 N-CA-C 118.389 2.737 . . . . 0.0 118.389 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.34 -21.03 9.44 Favored Glycine 0 N--CA 1.478 1.439 0 C-N-CA 126.302 1.906 . . . . 0.0 113.271 -176.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -74.55 137.45 42.41 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.242 1.417 . . . . 0.0 108.956 174.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -118.1 129.86 55.79 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.56 1.544 . . . . 0.0 108.735 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.84 139.1 51.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 C-N-CA 123.844 0.858 . . . . 0.0 109.421 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.49 118.05 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.8 1.24 . . . . 0.0 109.028 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.7 p -121.95 135.3 54.85 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.636 0.774 . . . . 0.0 111.748 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -154.13 -168.53 2.98 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.994 -1.066 . . . . 0.0 113.165 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -141.67 158.34 43.94 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.383 1.073 . . . . 0.0 109.778 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -108.45 138.92 43.94 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 172.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 mp -132.41 131.34 41.69 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.462 1.105 . . . . 0.0 110.41 -175.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.4 t -57.79 124.02 17.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.53 1.132 . . . . 0.0 110.888 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -62.78 -13.82 37.74 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.092 -1.63 . . . . 0.0 111.749 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -94.82 -67.45 0.85 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.358 1.063 . . . . 0.0 111.783 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.6 p -92.6 -6.54 49.27 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.312 70.3 m80 52.54 21.41 1.79 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.399 1.88 . . . . 0.0 114.973 -176.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.19 146.65 52.24 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.186 1.394 . . . . 0.0 107.46 169.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.5 t -75.14 105.38 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 121.593 -0.692 . . . . 0.0 109.847 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.1 mt -60.82 -44.71 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 125.498 1.519 . . . . 0.0 110.794 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -164.67 163.93 21.51 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.764 1.226 . . . . 0.0 111.997 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -109.91 142.74 40.83 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.132 1.373 . . . . 0.0 108.596 173.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -123.81 137.96 54.58 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.854 1.661 . . . . 0.0 111.527 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -138.07 131.54 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.607 1.163 . . . . 0.0 108.77 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -130.9 126.22 35.58 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 174.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.93 135.78 49.49 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -128.55 126.57 40.62 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.017 0.927 . . . . 0.0 109.685 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.74 142.82 51.21 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.576 1.95 . . . . 0.0 113.602 -176.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.3 mt -109.6 121.98 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 O-C-N 121.136 -0.977 . . . . 0.0 109.68 174.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.49 115.69 24.57 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.792 1.237 . . . . 0.0 114.221 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.1 t0 51.84 -69.04 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 128.459 2.704 . . . . 0.0 117.184 175.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -135.79 6.79 3.2 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.917 2.087 . . . . 0.0 112.179 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.92 170.29 15.09 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 120.796 -1.19 . . . . 0.0 109.909 -175.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -121.69 143.46 49.34 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 124.956 1.302 . . . . 0.0 109.194 175.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -122.17 130.68 53.44 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 126.848 2.059 . . . . 0.0 109.562 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -121.81 129.61 52.77 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 125.043 1.337 . . . . 0.0 109.035 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -140.0 143.02 36.26 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 122.066 0.936 . . . . 0.0 109.044 177.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.7 ttp -137.71 145.53 42.65 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 125.732 1.613 . . . . 0.0 109.299 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 tp -151.23 105.79 3.25 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.256 1.823 . . . . 0.0 110.098 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.8 t -142.35 136.01 29.21 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 126.261 1.824 . . . . 0.0 109.764 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.9 tp -59.57 -34.18 72.38 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.073 0.949 . . . . 0.0 111.824 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.5 tp -94.59 -63.36 1.19 Allowed 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.882 1.273 . . . . 0.0 111.55 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 80.4 m -65.77 -38.68 89.71 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.626 1.17 . . . . 0.0 113.494 -173.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.82 174.16 13.59 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 118.309 2.084 . . . . 0.0 118.309 173.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -113.47 116.81 30.18 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.325 1.45 . . . . 0.0 109.894 174.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.74 157.35 44.45 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -150.12 138.97 20.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.211 1.005 . . . . 0.0 111.216 176.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -141.69 152.41 43.85 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.145 1.778 . . . . 0.0 111.589 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.6 m -136.59 133.79 36.72 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.701 -0.625 . . . . 0.0 110.711 174.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.0 mt -122.22 126.54 74.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.306 1.442 . . . . 0.0 110.755 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.8 p . . . . . 0 N--CA 1.47 0.556 0 O-C-N 121.217 -0.927 . . . . 0.0 109.617 173.909 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.72 -34.01 1.02 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 127.041 2.258 . . . . 0.0 111.669 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -66.15 -18.38 65.31 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.732 -0.864 . . . . 0.0 110.054 169.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 84.5 m -62.89 -24.73 67.96 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.959 1.703 . . . . 0.0 112.947 175.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.1 m -113.31 139.86 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.469 1.107 . . . . 0.0 111.827 -174.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -65.45 -38.56 90.19 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.841 -1.162 . . . . 0.0 111.113 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -136.41 143.72 44.1 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.583 1.953 . . . . 0.0 109.373 175.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -81.66 125.42 30.55 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.059 0.943 . . . . 0.0 109.416 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 45.6 59.75 14.44 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.853 1.261 . . . . 0.0 113.077 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -62.47 146.08 95.57 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.2 2.6 . . . . 0.0 111.361 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -76.37 145.64 39.3 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.583 -1.323 . . . . 0.0 109.13 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 -120.87 29.22 7.49 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.99 37.89 72.89 Favored Glycine 0 CA--C 1.536 1.39 0 O-C-N 121.973 -0.454 . . . . 0.0 112.907 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 79.72 9.4 1.51 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 128.396 2.678 . . . . 0.0 114.731 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.2 m -72.22 118.2 14.81 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.214 -1.554 . . . . 0.0 111.375 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.3 m -122.2 109.45 14.5 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.459 1.103 . . . . 0.0 110.552 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -121.27 149.39 42.95 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.855 1.662 . . . . 0.0 114.093 -174.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.88 1.98 40.49 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.472 2.309 . . . . 0.0 112.824 176.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -141.34 157.5 45.11 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.491 1.516 . . . . 0.0 112.801 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.76 -177.57 33.08 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.116 1.341 . . . . 0.0 116.004 175.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.7 m -147.84 121.79 9.4 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 128.297 2.639 . . . . 0.0 108.57 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -75.06 77.07 2.24 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.5 mt -51.72 -31.16 25.12 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.8 mt -68.43 -17.85 64.3 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.528 1.131 . . . . 0.0 113.393 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -104.24 -33.01 8.84 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.484 1.114 . . . . 0.0 110.135 174.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -66.53 111.48 3.62 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.64 -0.662 . . . . 0.0 110.67 176.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 p -93.64 7.21 45.61 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.699 1.2 . . . . 0.0 112.835 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.41 148.01 23.29 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.9 t -53.51 166.24 0.31 Allowed 'General case' 0 C--O 1.239 0.515 0 C-N-CA 125.23 1.412 . . . . 0.0 113.979 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.61 -11.88 6.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.498 1.119 . . . . 0.0 112.702 172.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 36.1 t -72.12 -35.11 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 120.056 1.298 . . . . 0.0 109.025 171.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.7 p -130.74 -15.67 3.44 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t 80.85 21.17 0.42 Allowed 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -91.84 144.27 25.66 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.201 -1.562 . . . . 0.0 113.394 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.8 ttt-85 -120.27 162.57 19.19 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.585 1.554 . . . . 0.0 109.437 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.285 3.4 p30 54.52 20.6 2.91 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 126.168 1.787 . . . . 0.0 114.905 -174.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -119.21 100.78 7.54 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 128.771 2.828 . . . . 0.0 110.462 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.6 ptp -164.69 148.23 8.96 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.22 166.73 19.68 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 131.332 3.853 . . . . 0.0 109.763 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 88.4 mt -127.9 134.9 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.867 1.667 . . . . 0.0 106.539 173.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.72 177.59 9.38 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.655 0.782 . . . . 0.0 111.22 178.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.0 t30 58.24 17.78 4.9 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.777 1.231 . . . . 0.0 113.621 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -58.08 111.83 1.32 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 127.224 2.21 . . . . 0.0 112.626 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.5 m -107.47 155.38 20.12 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 125.625 1.57 . . . . 0.0 111.931 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -139.35 137.74 36.03 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.546 1.538 . . . . 0.0 110.149 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -131.99 146.66 52.22 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.482 1.913 . . . . 0.0 111.049 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.81 116.34 11.31 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.74 0.305 . . . . 0.0 110.796 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -118.84 121.42 39.97 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.964 1.306 . . . . 0.0 113.023 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.5 t70 44.98 20.53 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.304 0 N-CA-C 118.432 2.753 . . . . 0.0 118.432 171.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.52 -21.11 9.3 Favored Glycine 0 N--CA 1.477 1.398 0 C-N-CA 126.381 1.943 . . . . 0.0 113.428 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -74.73 137.71 42.25 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.257 1.423 . . . . 0.0 108.987 174.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -117.99 129.9 55.87 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.441 1.496 . . . . 0.0 108.785 176.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.87 139.21 51.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 123.848 0.859 . . . . 0.0 109.474 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.2 t -132.39 118.17 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 124.913 1.285 . . . . 0.0 109.036 177.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.4 p -122.02 135.1 54.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.529 0.732 . . . . 0.0 112.041 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -153.19 -168.84 3.14 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.104 -0.997 . . . . 0.0 113.507 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -141.75 158.35 43.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.709 1.204 . . . . 0.0 109.353 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -109.91 137.86 47.11 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 105.987 -1.856 . . . . 0.0 105.987 172.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 mp -131.93 132.04 43.2 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.767 1.227 . . . . 0.0 110.603 -174.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.7 t -59.31 125.44 23.65 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.382 1.073 . . . . 0.0 111.036 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -63.47 -13.07 36.85 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.215 -1.553 . . . . 0.0 111.891 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -95.58 -66.36 0.91 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.291 1.036 . . . . 0.0 111.682 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.8 p -94.09 -6.24 45.52 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 -178.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.305 66.2 m80 52.46 20.96 1.6 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.487 1.915 . . . . 0.0 114.974 -176.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.93 146.48 53.56 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.043 1.337 . . . . 0.0 107.502 169.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.8 t -75.41 105.16 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 O-C-N 121.712 -0.618 . . . . 0.0 109.788 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.8 mt -60.08 -44.38 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 125.802 1.641 . . . . 0.0 110.671 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -164.91 163.17 21.01 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.844 1.258 . . . . 0.0 111.999 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -109.96 142.11 41.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.105 1.362 . . . . 0.0 108.843 172.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -122.24 138.55 54.45 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.02 1.728 . . . . 0.0 111.675 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -139.51 130.36 26.14 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.456 1.103 . . . . 0.0 108.939 175.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -129.44 126.84 39.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 173.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.26 135.77 49.21 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -128.7 127.18 41.6 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.093 0.957 . . . . 0.0 110.003 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.32 142.98 50.97 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.428 1.891 . . . . 0.0 113.615 -176.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.11 121.95 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 O-C-N 121.068 -1.02 . . . . 0.0 109.855 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.45 115.78 24.77 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.754 1.222 . . . . 0.0 113.883 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 50.77 -69.58 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.471 2.708 . . . . 0.0 117.469 176.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -135.36 6.47 3.29 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.895 2.078 . . . . 0.0 111.986 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.29 170.23 15.34 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 121.007 -1.058 . . . . 0.0 109.724 -175.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -122.39 143.49 49.63 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.968 1.307 . . . . 0.0 109.365 175.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -121.58 130.42 53.5 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 126.785 2.034 . . . . 0.0 109.612 -178.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -121.87 130.09 53.1 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 125.094 1.358 . . . . 0.0 109.177 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.92 143.27 36.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 122.223 1.011 . . . . 0.0 109.579 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.7 ttp -138.95 144.91 39.22 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.766 1.626 . . . . 0.0 109.237 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 tp -151.76 105.41 3.12 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.102 1.761 . . . . 0.0 110.025 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.7 t -141.6 136.15 30.74 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.267 1.827 . . . . 0.0 109.758 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.9 tp -59.8 -34.19 72.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.017 0.927 . . . . 0.0 111.802 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.1 tp -94.99 -63.99 1.11 Allowed 'General case' 0 C--O 1.231 0.129 0 C-N-CA 125.134 1.373 . . . . 0.0 111.128 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.7 m -64.5 -37.63 88.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.028 0.931 . . . . 0.0 113.396 -173.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.08 175.22 14.0 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 117.61 1.804 . . . . 0.0 117.61 173.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -111.62 120.92 43.7 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 125.127 1.371 . . . . 0.0 110.093 174.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.75 157.17 44.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.436 1.095 . . . . 0.0 113.92 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -151.83 137.71 18.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.963 0.905 . . . . 0.0 110.838 174.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -141.87 152.46 43.63 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.143 1.777 . . . . 0.0 111.615 178.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.87 133.47 37.79 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 121.799 -0.563 . . . . 0.0 110.533 174.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.3 mt -122.22 125.83 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.117 1.367 . . . . 0.0 110.739 -177.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.2 p . . . . . 0 N--CA 1.469 0.497 0 O-C-N 121.437 -0.789 . . . . 0.0 109.703 174.013 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.78 -33.94 1.03 Allowed Glycine 0 CA--C 1.533 1.169 0 C-N-CA 126.851 2.167 . . . . 0.0 111.792 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -66.54 -18.02 65.13 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 117.993 0.896 . . . . 0.0 110.088 169.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.97 -27.43 68.85 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.971 1.708 . . . . 0.0 112.767 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.1 m -110.66 139.27 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.584 1.154 . . . . 0.0 111.686 -175.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -64.5 -40.47 95.71 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.686 1.194 . . . . 0.0 110.617 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -134.27 141.96 47.15 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.97 2.108 . . . . 0.0 109.335 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -81.73 123.68 28.96 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.592 0.757 . . . . 0.0 109.09 174.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 47.1 60.13 15.5 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.72 1.208 . . . . 0.0 113.103 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -62.97 145.04 94.19 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.115 2.543 . . . . 0.0 111.577 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -77.68 143.91 37.76 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.589 -1.319 . . . . 0.0 109.481 175.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -119.04 30.92 6.9 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -175.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.83 37.42 69.54 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 123.474 0.559 . . . . 0.0 113.025 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.34 6.82 0.74 Allowed 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 128.774 2.829 . . . . 0.0 114.743 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.7 m -70.6 117.72 12.5 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.332 -1.48 . . . . 0.0 111.44 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.6 m -121.76 109.08 14.27 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.643 1.177 . . . . 0.0 110.247 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.65 146.36 44.74 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.108 1.763 . . . . 0.0 113.584 -175.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.27 -4.37 42.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.646 1.978 . . . . 0.0 113.032 176.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -144.61 157.41 44.22 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.07 -171.64 19.94 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.766 1.65 . . . . 0.0 115.015 176.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.1 m -148.49 120.98 8.5 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.7 2.4 . . . . 0.0 108.238 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -75.26 77.92 2.37 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -174.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.5 mt -51.66 -29.33 17.51 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -177.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.35 -19.31 63.06 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -102.66 -33.74 9.33 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.491 1.116 . . . . 0.0 109.559 175.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -66.0 109.32 2.51 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.657 0.662 . . . . 0.0 110.084 175.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -90.44 6.9 41.41 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.317 1.047 . . . . 0.0 112.135 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.05 151.3 27.8 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.485 1.516 . . . . 0.0 109.584 -175.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.9 t -53.47 169.55 0.13 Allowed 'General case' 0 C--O 1.239 0.519 0 C-N-CA 125.87 1.668 . . . . 0.0 114.213 -177.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.09 -11.68 5.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.375 171.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.3 t -73.6 -35.55 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 119.74 1.155 . . . . 0.0 109.136 171.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.0 p -131.41 -16.79 3.03 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 116.245 1.942 . . . . 0.0 116.245 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t 80.8 15.42 0.65 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -82.26 149.25 27.93 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.034 -1.666 . . . . 0.0 112.908 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -124.27 160.65 27.51 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 125.648 1.579 . . . . 0.0 110.165 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.1 27.14 4.3 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.298 1.839 . . . . 0.0 114.908 -175.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.82 99.56 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 128.782 2.833 . . . . 0.0 111.14 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.73 150.03 18.83 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 177.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.48 166.47 17.88 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 131.106 3.762 . . . . 0.0 109.572 178.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.6 mt -127.66 133.37 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 126.206 1.802 . . . . 0.0 107.031 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.57 172.41 13.62 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.671 0.788 . . . . 0.0 111.705 178.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.266 0.0 OUTLIER 56.97 12.0 1.1 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.443 2.297 . . . . 0.0 115.213 179.435 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -51.91 112.39 0.77 Allowed 'General case' 0 C--O 1.234 0.261 0 C-N-CA 127.79 2.436 . . . . 0.0 113.706 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.4 m -107.54 156.18 19.28 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.392 1.477 . . . . 0.0 112.5 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -139.66 137.77 35.52 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.908 1.683 . . . . 0.0 109.517 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -132.07 146.66 52.2 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 126.384 1.874 . . . . 0.0 111.114 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -138.78 116.27 11.27 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.851 0.358 . . . . 0.0 110.792 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -118.9 121.5 40.12 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.163 1.385 . . . . 0.0 113.134 175.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 44.9 20.83 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 118.442 2.756 . . . . 0.0 118.442 172.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.05 -20.99 9.63 Favored Glycine 0 N--CA 1.477 1.392 0 C-N-CA 126.329 1.918 . . . . 0.0 113.381 -177.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -74.68 137.53 42.21 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.273 1.429 . . . . 0.0 109.0 174.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -118.06 129.76 55.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.714 1.606 . . . . 0.0 108.841 176.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.83 139.37 50.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 123.869 0.868 . . . . 0.0 109.312 -178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.3 t -132.51 118.13 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.649 1.18 . . . . 0.0 108.682 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.0 p -122.04 134.25 54.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.742 0.817 . . . . 0.0 111.708 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -154.16 -170.83 3.67 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.177 -0.952 . . . . 0.0 113.265 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.61 158.19 44.15 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.918 1.287 . . . . 0.0 108.718 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -112.23 140.43 46.94 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.157 1.383 . . . . 0.0 108.059 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mp -132.18 133.81 44.64 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.698 1.199 . . . . 0.0 110.889 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.0 t -59.07 123.3 16.16 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.401 1.08 . . . . 0.0 110.611 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -63.08 -12.6 28.02 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 120.097 -1.627 . . . . 0.0 111.769 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -95.5 -67.98 0.82 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.503 1.121 . . . . 0.0 111.685 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.51 -6.17 50.28 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.29 70.7 m80 53.37 20.73 2.07 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.45 1.9 . . . . 0.0 115.067 -177.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.91 146.62 52.65 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.041 1.336 . . . . 0.0 107.676 169.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.7 t -75.65 105.1 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 121.617 -0.677 . . . . 0.0 110.038 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.9 mt -61.82 -45.82 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.485 1.514 . . . . 0.0 111.166 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.4 168.55 20.19 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.497 1.119 . . . . 0.0 112.636 -175.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.62 140.4 49.44 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.038 1.735 . . . . 0.0 109.157 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.72 139.32 54.11 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.077 1.751 . . . . 0.0 112.757 -177.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -140.09 131.81 27.37 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.637 1.175 . . . . 0.0 108.836 174.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -131.24 126.5 35.64 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.74 135.84 49.75 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -129.41 126.53 39.01 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.992 0.917 . . . . 0.0 110.076 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.6 142.89 51.24 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.494 1.917 . . . . 0.0 113.522 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.11 121.93 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 120.982 -1.074 . . . . 0.0 109.674 174.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.9 ptp -119.34 115.77 24.82 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.679 1.192 . . . . 0.0 113.596 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 50.25 -72.79 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.213 2.605 . . . . 0.0 116.891 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -132.36 7.69 4.24 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.061 2.144 . . . . 0.0 112.173 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -133.26 170.44 15.44 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.591 -1.318 . . . . 0.0 109.684 -176.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -122.08 143.54 49.46 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.358 1.463 . . . . 0.0 109.247 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -121.98 130.17 53.08 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 126.781 2.033 . . . . 0.0 109.636 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -122.08 130.18 53.04 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 125.002 1.321 . . . . 0.0 109.299 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.89 142.69 36.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.1 0.952 . . . . 0.0 109.385 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.4 ttp -139.09 145.27 39.3 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 125.792 1.637 . . . . 0.0 109.321 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.76 105.42 3.12 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.23 1.812 . . . . 0.0 110.311 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.6 t -142.47 136.93 29.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.16 1.784 . . . . 0.0 110.137 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.1 tp -59.03 -34.12 71.54 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.275 1.03 . . . . 0.0 111.805 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.7 tp -96.64 -63.23 1.16 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 125.159 1.383 . . . . 0.0 111.25 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 69.8 m -64.45 -37.32 87.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -173.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.93 174.94 13.9 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 172.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.43 117.74 32.57 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.148 1.379 . . . . 0.0 110.35 174.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.67 157.21 44.57 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -150.38 137.76 19.63 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.325 1.05 . . . . 0.0 110.906 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -141.76 152.48 43.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.418 1.887 . . . . 0.0 111.911 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -136.5 133.39 36.46 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.486 -0.758 . . . . 0.0 110.577 174.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.2 mt -122.22 126.8 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.297 1.439 . . . . 0.0 110.769 -177.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.1 p . . . . . 0 N--CA 1.469 0.502 0 O-C-N 121.322 -0.861 . . . . 0.0 109.691 174.186 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.98 -35.17 1.05 Allowed Glycine 0 CA--C 1.531 1.072 0 C-N-CA 126.896 2.189 . . . . 0.0 111.401 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -66.24 -17.53 64.8 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.828 -0.807 . . . . 0.0 109.936 169.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 78.6 m -62.6 -26.95 68.87 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.962 1.705 . . . . 0.0 112.69 174.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 m -110.96 140.51 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 121.177 -0.952 . . . . 0.0 112.217 -174.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -65.31 -41.55 93.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.798 1.239 . . . . 0.0 110.368 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -132.79 140.97 48.25 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.953 2.101 . . . . 0.0 109.248 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -81.7 123.52 28.8 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.65 0.78 . . . . 0.0 109.043 175.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 46.88 60.24 15.2 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 124.808 1.243 . . . . 0.0 113.139 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -62.77 146.69 95.16 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.249 2.633 . . . . 0.0 111.389 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -77.91 145.7 36.01 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.242 -1.537 . . . . 0.0 109.394 175.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -119.21 28.46 8.22 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -174.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.04 44.15 96.47 Favored Glycine 0 CA--C 1.534 1.257 0 O-C-N 121.934 -0.479 . . . . 0.0 112.051 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 m120 67.88 23.68 8.31 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 126.59 1.956 . . . . 0.0 114.452 -179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.6 m -88.5 120.21 29.67 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 120.552 -1.343 . . . . 0.0 110.943 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.3 m -121.89 110.04 15.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.472 1.109 . . . . 0.0 110.589 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mp -119.19 145.5 45.97 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.343 1.857 . . . . 0.0 113.577 -175.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.05 -4.44 49.46 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.511 1.924 . . . . 0.0 113.255 176.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -148.24 153.28 38.51 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.231 1.013 . . . . 0.0 112.823 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.83 -175.8 15.97 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.661 1.6 . . . . 0.0 114.42 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.1 m -151.14 118.82 6.11 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.58 2.352 . . . . 0.0 108.307 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -75.73 77.13 2.69 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -174.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.0 mt -52.73 -25.41 11.02 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.4 mt -75.12 -17.39 60.43 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.623 1.169 . . . . 0.0 113.063 176.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -104.47 -32.59 8.93 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.041 1.337 . . . . 0.0 110.013 175.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -65.73 105.1 1.18 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.84 0.745 . . . . 0.0 111.394 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.7 p -81.06 -4.83 56.56 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 121.072 -1.018 . . . . 0.0 112.851 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.03 148.94 20.84 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 125.914 1.721 . . . . 0.0 109.223 -175.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.46 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 8.3 t -53.28 165.55 0.34 Allowed 'General case' 0 C--O 1.239 0.539 0 C-N-CA 125.255 1.422 . . . . 0.0 114.099 -177.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -124.89 -11.24 7.17 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.337 1.055 . . . . 0.0 112.324 172.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.56 -34.94 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 119.742 1.155 . . . . 0.0 109.001 171.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 p -132.09 -14.94 3.0 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.39 23.38 0.29 Allowed 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -95.31 138.74 32.59 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 119.709 -1.869 . . . . 0.0 113.92 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -113.16 161.59 16.96 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.083 1.753 . . . . 0.0 109.592 174.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.264 4.1 p30 51.76 26.48 3.52 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.48 1.912 . . . . 0.0 115.038 -176.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -123.05 98.82 6.07 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 128.72 2.808 . . . . 0.0 111.093 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.14 149.81 16.17 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 176.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.37 165.93 18.82 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 131.101 3.76 . . . . 0.0 109.044 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.1 mt -127.52 134.38 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.13 177.43 9.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.689 0.796 . . . . 0.0 111.231 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.4 t30 57.91 18.18 4.83 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 124.836 1.255 . . . . 0.0 113.713 174.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -57.71 113.9 2.04 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.115 2.166 . . . . 0.0 112.508 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.9 m -107.54 156.09 19.39 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 125.802 1.641 . . . . 0.0 111.663 176.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -139.97 137.73 34.96 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.517 1.527 . . . . 0.0 109.852 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -132.07 146.64 52.19 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.288 1.835 . . . . 0.0 111.41 -178.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -139.3 116.42 11.06 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 117.912 0.324 . . . . 0.0 111.77 177.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.91 121.43 39.95 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.155 1.382 . . . . 0.0 113.364 173.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 45.18 20.78 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 118.439 2.755 . . . . 0.0 118.439 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.41 -20.93 9.43 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 126.133 1.825 . . . . 0.0 113.181 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -74.08 137.21 43.17 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.919 1.287 . . . . 0.0 108.876 174.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -118.04 129.86 55.82 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 125.427 1.491 . . . . 0.0 108.683 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.13 138.53 52.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 123.979 0.911 . . . . 0.0 109.499 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.45 118.1 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 124.716 1.207 . . . . 0.0 108.964 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -121.99 135.26 54.83 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.656 0.782 . . . . 0.0 111.641 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -153.31 -168.81 3.12 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.991 -1.068 . . . . 0.0 113.037 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -141.74 158.29 43.99 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.534 1.134 . . . . 0.0 110.073 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -108.21 139.21 43.22 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 172.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mp -132.82 131.63 41.26 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 124.689 1.196 . . . . 0.0 110.28 -175.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.09 123.69 16.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.122 . . . . 0.0 111.245 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -62.6 -13.81 35.72 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 120.158 -1.589 . . . . 0.0 111.72 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -95.22 -66.48 0.91 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.403 1.081 . . . . 0.0 111.859 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.1 p -94.66 -5.58 45.28 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.312 69.5 m80 52.69 21.17 1.78 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.271 1.828 . . . . 0.0 115.067 -177.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.58 147.1 52.43 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 169.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.3 t -74.94 103.77 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.589 -0.695 . . . . 0.0 109.727 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.4 mt -60.68 -45.62 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.542 1.537 . . . . 0.0 110.997 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.49 164.46 24.39 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.758 1.223 . . . . 0.0 111.787 -176.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.3 142.15 45.15 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.312 1.445 . . . . 0.0 108.521 174.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -123.46 138.52 54.57 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.833 1.653 . . . . 0.0 111.677 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -138.86 131.51 28.99 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 124.496 1.118 . . . . 0.0 108.851 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -130.36 126.57 37.45 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 173.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.16 135.79 49.32 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -129.15 126.3 38.96 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.057 0.943 . . . . 0.0 110.002 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.38 142.89 51.31 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.626 1.971 . . . . 0.0 113.691 -176.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.24 121.92 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.117 -0.99 . . . . 0.0 109.822 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.43 115.74 24.71 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.652 1.181 . . . . 0.0 113.432 177.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 50.51 -74.18 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 128.169 2.587 . . . . 0.0 116.654 177.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -131.76 8.11 4.48 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.881 2.072 . . . . 0.0 112.199 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.9 170.34 15.02 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 120.61 -1.306 . . . . 0.0 109.524 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -123.17 143.6 49.9 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.09 1.356 . . . . 0.0 109.161 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -121.98 129.93 52.89 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 126.722 2.009 . . . . 0.0 109.759 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -121.54 130.03 53.27 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 125.019 1.328 . . . . 0.0 109.205 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.97 143.02 36.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.311 1.053 . . . . 0.0 109.391 177.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.1 ttp -138.82 144.55 39.36 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 125.769 1.628 . . . . 0.0 109.151 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.28 105.91 3.25 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.217 1.807 . . . . 0.0 110.119 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 37.7 t -141.87 136.36 30.45 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.284 1.834 . . . . 0.0 109.687 178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.92 -33.99 72.62 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.135 0.974 . . . . 0.0 111.855 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.4 tp -95.5 -63.41 1.16 Allowed 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.858 1.263 . . . . 0.0 111.226 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.1 m -64.67 -38.3 90.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -173.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.09 175.09 13.92 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 117.869 1.908 . . . . 0.0 117.869 173.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -113.82 117.82 32.53 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.316 1.447 . . . . 0.0 110.432 175.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.71 157.17 44.59 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.517 1.127 . . . . 0.0 113.668 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -150.26 137.71 19.73 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.392 1.077 . . . . 0.0 110.982 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -141.85 152.46 43.66 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.331 1.853 . . . . 0.0 111.67 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -135.68 135.73 40.32 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.323 -0.861 . . . . 0.0 110.714 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 9.8 mt -122.16 124.89 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.195 1.398 . . . . 0.0 110.497 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 C--N 1.326 -0.451 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.189 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.84 -33.79 1.04 Allowed Glycine 0 CA--C 1.531 1.078 0 C-N-CA 126.864 2.173 . . . . 0.0 111.878 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.51 -19.41 65.91 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 117.905 0.853 . . . . 0.0 109.928 169.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.1 m -61.68 -25.94 67.72 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.161 1.784 . . . . 0.0 113.25 175.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.1 m -111.97 139.06 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.639 1.176 . . . . 0.0 111.636 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.85 -38.56 91.4 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.894 -1.129 . . . . 0.0 111.135 177.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -136.85 144.14 43.45 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.628 1.971 . . . . 0.0 109.435 175.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -81.8 124.97 30.11 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.032 0.933 . . . . 0.0 109.395 175.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 45.67 59.4 14.92 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 124.937 1.295 . . . . 0.0 113.477 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -62.89 144.54 93.53 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.418 2.745 . . . . 0.0 111.668 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -76.26 143.06 41.18 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.916 -1.115 . . . . 0.0 109.15 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.32 30.9 6.87 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -175.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.62 37.06 66.43 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.431 0.538 . . . . 0.0 113.152 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 83.4 7.13 0.71 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.8 2.84 . . . . 0.0 114.749 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.9 m -70.43 116.16 10.45 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 120.22 -1.55 . . . . 0.0 111.495 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.2 m -120.81 109.92 15.73 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.579 1.151 . . . . 0.0 110.257 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -119.43 145.33 46.35 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.0 1.72 . . . . 0.0 113.491 -175.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.11 -6.29 42.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.295 1.838 . . . . 0.0 112.975 175.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -142.55 156.77 45.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.437 1.095 . . . . 0.0 113.649 -177.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.35 -166.54 13.34 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.513 1.53 . . . . 0.0 115.748 175.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 m -152.06 131.63 13.06 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.564 2.346 . . . . 0.0 108.118 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -87.76 75.87 8.88 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.59 -25.14 16.13 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.7 mt -72.39 -18.12 61.75 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.1 0.864 . . . . 0.0 112.984 175.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -103.27 -33.51 9.13 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.66 1.184 . . . . 0.0 110.056 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -66.05 111.03 3.17 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.483 0.583 . . . . 0.0 110.0 175.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.2 p -90.48 4.38 51.23 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.225 1.01 . . . . 0.0 112.191 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.46 150.87 27.64 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.477 1.513 . . . . 0.0 109.429 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 t -53.43 169.69 0.12 Allowed 'General case' 0 C--O 1.239 0.522 0 C-N-CA 125.542 1.537 . . . . 0.0 114.249 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.17 -11.75 5.81 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.411 171.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -73.67 -35.62 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 119.758 1.163 . . . . 0.0 109.081 171.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.2 p -131.08 -17.25 3.09 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 81.57 14.9 0.55 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -81.74 148.54 28.89 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.019 -1.676 . . . . 0.0 113.16 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -124.03 162.11 24.13 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.734 1.614 . . . . 0.0 109.806 175.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.284 4.0 p30 52.69 26.51 4.49 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.157 1.783 . . . . 0.0 114.964 -175.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -124.19 100.33 6.66 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 128.825 2.85 . . . . 0.0 111.613 -177.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.68 150.22 17.32 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 176.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.31 167.56 16.76 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 131.333 3.853 . . . . 0.0 110.086 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.8 mt -127.85 134.09 66.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 126.503 1.921 . . . . 0.0 107.081 175.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.64 173.41 12.77 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.663 0.785 . . . . 0.0 111.822 178.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.266 0.0 OUTLIER 56.87 12.22 1.12 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.58 2.352 . . . . 0.0 115.223 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -51.51 112.59 0.78 Allowed 'General case' 0 C--O 1.234 0.258 0 C-N-CA 127.729 2.412 . . . . 0.0 114.088 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.3 m -107.58 156.18 19.31 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.584 1.553 . . . . 0.0 112.642 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tt -139.5 137.77 35.79 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.833 1.653 . . . . 0.0 109.43 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -132.04 146.73 52.25 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 126.509 1.924 . . . . 0.0 111.184 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -138.86 116.25 11.2 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.77 0.319 . . . . 0.0 111.04 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -118.79 121.41 39.98 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.069 1.347 . . . . 0.0 113.093 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 45.03 20.31 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.274 0 N-CA-C 118.496 2.776 . . . . 0.0 118.496 171.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.45 -21.16 9.32 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 126.469 1.985 . . . . 0.0 113.357 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -74.53 137.28 42.34 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.313 1.445 . . . . 0.0 108.999 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -118.03 129.83 55.81 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.631 1.572 . . . . 0.0 108.791 176.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.49 139.68 49.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 123.963 0.905 . . . . 0.0 109.306 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.5 t -132.51 118.04 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.527 1.131 . . . . 0.0 108.521 177.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.3 p -122.06 134.25 54.78 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.891 0.876 . . . . 0.0 111.901 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -154.79 -170.59 3.56 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.128 -0.983 . . . . 0.0 113.164 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.7 158.21 44.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.899 1.279 . . . . 0.0 108.816 -178.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -111.88 140.99 46.08 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.165 1.386 . . . . 0.0 107.909 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mp -132.63 134.23 44.62 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.518 1.127 . . . . 0.0 110.958 -175.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.5 122.69 14.64 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.449 1.1 . . . . 0.0 110.428 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -62.32 -13.51 29.53 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.158 -1.589 . . . . 0.0 111.786 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -94.71 -68.2 0.81 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.503 1.121 . . . . 0.0 111.661 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.5 p -92.1 -6.27 51.19 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 73.0 m80 53.22 21.59 2.3 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.272 1.829 . . . . 0.0 115.04 -177.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.75 146.74 51.25 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.274 1.43 . . . . 0.0 107.488 169.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.5 t -75.61 105.73 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 121.521 -0.737 . . . . 0.0 109.927 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.12 -45.31 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.341 1.456 . . . . 0.0 111.095 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.53 167.33 21.55 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.562 1.145 . . . . 0.0 112.54 -175.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -114.76 140.75 48.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.756 1.623 . . . . 0.0 108.964 174.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -123.47 138.64 54.54 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 126.077 1.751 . . . . 0.0 112.354 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -139.76 132.03 28.26 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 124.506 1.122 . . . . 0.0 108.648 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -131.32 126.43 35.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 174.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.33 135.81 50.1 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -128.86 126.76 40.47 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.112 0.965 . . . . 0.0 110.014 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.99 142.89 51.11 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.464 1.906 . . . . 0.0 113.617 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -109.8 121.92 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 O-C-N 120.919 -1.113 . . . . 0.0 109.925 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.4 115.81 24.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.881 1.272 . . . . 0.0 114.213 177.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.0 t0 51.28 -68.7 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 128.605 2.762 . . . . 0.0 117.476 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -135.46 6.1 3.24 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.89 2.076 . . . . 0.0 112.055 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.09 171.29 13.81 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 120.697 -1.252 . . . . 0.0 109.837 -175.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -123.21 143.43 50.03 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 125.029 1.332 . . . . 0.0 109.29 176.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -121.18 130.45 53.71 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 126.899 2.08 . . . . 0.0 109.465 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -122.04 130.33 53.19 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 125.091 1.357 . . . . 0.0 109.189 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.9 142.27 36.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 122.039 0.924 . . . . 0.0 109.458 177.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.0 ttp -138.33 144.94 40.6 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 125.833 1.653 . . . . 0.0 109.461 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.91 105.1 3.06 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.056 1.742 . . . . 0.0 110.256 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.4 t -142.08 136.73 30.44 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.367 1.867 . . . . 0.0 110.077 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.9 tp -59.41 -34.13 72.08 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.123 0.969 . . . . 0.0 111.925 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 tp -96.31 -63.32 1.16 Allowed 'General case' 0 C--O 1.232 0.182 0 C-N-CA 125.027 1.331 . . . . 0.0 111.279 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 80.5 m -63.9 -38.26 90.42 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.894 0.878 . . . . 0.0 113.286 -173.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.16 175.63 14.15 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 117.338 1.695 . . . . 0.0 117.338 173.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -112.56 118.28 34.67 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.747 1.619 . . . . 0.0 110.355 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.77 157.24 44.52 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -150.55 137.75 19.41 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.165 0.986 . . . . 0.0 110.826 174.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -141.86 152.47 43.66 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.156 1.782 . . . . 0.0 111.718 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.03 133.25 37.25 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.819 -0.551 . . . . 0.0 110.59 175.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.7 mt -122.25 128.06 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.306 1.442 . . . . 0.0 111.118 -176.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.1 p . . . . . 0 N--CA 1.471 0.623 0 O-C-N 121.254 -0.904 . . . . 0.0 110.664 175.905 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.844 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.09 -35.33 1.08 Allowed Glycine 0 CA--C 1.532 1.116 0 C-N-CA 126.793 2.14 . . . . 0.0 111.339 -176.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -66.1 -18.58 65.44 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 117.91 0.855 . . . . 0.0 109.961 169.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 67.2 m -61.24 -27.7 68.64 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.229 1.811 . . . . 0.0 112.736 174.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 m -110.34 140.03 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.202 1.001 . . . . 0.0 111.751 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.71 -40.63 95.68 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.889 1.276 . . . . 0.0 110.415 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -134.72 141.51 46.52 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 127.107 2.163 . . . . 0.0 109.317 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -81.4 124.01 29.05 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.624 0.77 . . . . 0.0 109.117 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 46.77 60.34 14.96 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.746 1.218 . . . . 0.0 113.087 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -63.01 144.01 92.07 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.114 2.543 . . . . 0.0 111.291 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -77.0 143.74 39.18 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.491 -1.381 . . . . 0.0 109.458 175.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -116.12 30.86 7.08 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.97 12.03 10.11 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 126.125 1.822 . . . . 0.0 116.704 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 120.98 -0.31 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.121 1 C-N-CA 132.756 4.422 . . . . 0.0 115.689 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.0 m -68.48 117.01 9.69 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.852 -1.155 . . . . 0.0 112.623 -176.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.2 m -122.81 110.19 15.14 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.989 1.316 . . . . 0.0 110.379 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.75 149.23 43.58 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.945 1.698 . . . . 0.0 113.89 -175.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.23 1.96 39.44 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.261 2.224 . . . . 0.0 112.823 175.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -141.48 158.62 43.62 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.246 1.419 . . . . 0.0 113.152 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.94 -175.1 33.48 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 125.184 1.373 . . . . 0.0 116.051 175.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.6 m -146.2 123.24 11.41 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.98 2.512 . . . . 0.0 108.277 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -76.15 78.32 2.97 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -174.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 mt -53.3 -24.92 12.93 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -178.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.0 mt -74.31 -17.18 60.88 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.795 0.838 . . . . 0.0 112.943 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -105.56 -32.6 8.42 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.048 1.339 . . . . 0.0 110.083 176.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -65.64 104.93 1.11 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.958 0.799 . . . . 0.0 110.895 176.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.9 p -81.26 -5.95 58.34 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.392 -0.818 . . . . 0.0 112.394 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.29 150.08 21.63 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.408 1.956 . . . . 0.0 109.428 -176.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.455 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.7 t -52.42 163.74 0.39 Allowed 'General case' 0 C--O 1.238 0.499 0 C-N-CA 125.01 1.324 . . . . 0.0 114.215 -176.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.62 -10.87 8.73 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.234 1.014 . . . . 0.0 111.941 172.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.5 t -75.12 -35.08 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 119.546 1.066 . . . . 0.0 109.078 172.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.8 p -132.71 -13.03 2.94 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 80.48 18.87 0.56 Allowed 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -92.86 139.5 30.47 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 119.617 -1.927 . . . . 0.0 113.938 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -113.01 161.77 16.65 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 125.709 1.604 . . . . 0.0 110.087 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.261 4.1 p30 51.53 27.53 3.93 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 126.46 1.904 . . . . 0.0 115.296 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -122.51 99.26 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 128.471 2.708 . . . . 0.0 110.898 -178.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.62 150.86 19.75 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 177.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.96 165.94 19.29 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 131.399 3.879 . . . . 0.0 109.043 178.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.9 mt -128.48 134.98 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 125.942 1.697 . . . . 0.0 106.89 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.38 172.18 14.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.312 0.645 . . . . 0.0 111.771 178.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.279 0.0 OUTLIER 58.34 14.46 2.9 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.447 2.299 . . . . 0.0 115.275 178.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -51.59 112.41 0.75 Allowed 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 126.847 2.059 . . . . 0.0 113.241 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.2 m -107.53 156.09 19.38 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 125.463 1.505 . . . . 0.0 112.097 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.32 137.84 34.45 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.626 1.571 . . . . 0.0 110.069 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -131.67 146.68 52.31 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 126.485 1.914 . . . . 0.0 111.161 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.64 116.35 11.45 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.814 0.34 . . . . 0.0 110.867 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -118.96 121.45 39.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.351 1.46 . . . . 0.0 113.319 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 45.56 20.82 0.06 Allowed 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 118.38 2.733 . . . . 0.0 118.38 172.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.75 -21.11 9.82 Favored Glycine 0 N--CA 1.478 1.455 0 C-N-CA 126.272 1.891 . . . . 0.0 113.23 -177.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -75.12 136.6 41.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.011 1.324 . . . . 0.0 108.858 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -117.95 129.86 55.86 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 125.658 1.583 . . . . 0.0 108.683 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.62 139.49 50.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 123.885 0.874 . . . . 0.0 109.33 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.1 t -132.53 118.15 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 124.763 1.225 . . . . 0.0 108.895 177.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.0 p -121.95 134.76 54.83 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.61 0.764 . . . . 0.0 112.063 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -153.41 -170.58 3.64 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.65 158.17 44.16 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.256 1.423 . . . . 0.0 108.68 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -112.72 141.53 46.4 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.141 1.377 . . . . 0.0 108.156 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.7 134.67 45.1 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.696 1.198 . . . . 0.0 110.959 -176.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -59.66 122.26 13.67 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.608 1.163 . . . . 0.0 110.811 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -62.28 -13.22 26.16 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 120.014 -1.679 . . . . 0.0 111.667 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -95.87 -63.27 1.17 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.635 1.174 . . . . 0.0 112.477 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.1 p -99.04 -4.53 32.25 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.771 1.396 . . . . 0.0 114.771 -178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 70.9 m80 53.5 20.34 2.03 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 126.498 1.919 . . . . 0.0 115.237 -177.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.06 147.1 52.83 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 169.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 82.9 t -76.01 104.72 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 121.462 -0.774 . . . . 0.0 109.947 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.7 mt -61.75 -46.36 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.737 1.615 . . . . 0.0 111.417 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.68 168.7 21.22 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.472 1.109 . . . . 0.0 112.631 -175.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -117.16 140.15 49.88 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.97 1.708 . . . . 0.0 109.145 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.25 139.11 54.39 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.098 1.759 . . . . 0.0 112.611 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -140.15 130.84 25.75 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.523 1.129 . . . . 0.0 108.873 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -129.86 127.0 39.32 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 173.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.78 135.81 49.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -128.64 127.8 42.9 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.197 0.999 . . . . 0.0 110.005 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.8 142.91 50.83 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.462 1.905 . . . . 0.0 113.577 -176.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -109.92 121.88 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 O-C-N 120.946 -1.096 . . . . 0.0 109.609 174.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.48 115.87 24.93 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.64 1.176 . . . . 0.0 114.097 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.3 t0 51.68 -68.52 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 128.562 2.745 . . . . 0.0 117.388 175.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -135.87 5.81 3.12 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.851 2.06 . . . . 0.0 112.156 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.28 171.05 13.78 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 120.786 -1.196 . . . . 0.0 109.885 -175.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -122.51 143.47 49.69 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.133 1.373 . . . . 0.0 109.009 176.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -122.03 130.05 52.95 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 126.902 2.081 . . . . 0.0 109.63 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -122.3 129.31 52.05 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.939 1.296 . . . . 0.0 109.455 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.84 142.22 36.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 122.218 1.009 . . . . 0.0 109.594 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.2 ttp -137.88 145.76 42.55 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.778 1.631 . . . . 0.0 109.401 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tp -151.8 104.86 3.06 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.388 1.875 . . . . 0.0 110.163 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.8 t -142.19 136.83 30.33 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.293 1.837 . . . . 0.0 110.01 178.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.4 tp -59.1 -34.13 71.65 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.198 0.999 . . . . 0.0 111.824 176.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.2 tp -96.46 -62.77 1.22 Allowed 'General case' 0 C--O 1.232 0.134 0 C-N-CA 125.038 1.335 . . . . 0.0 111.256 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.8 m -64.83 -37.69 88.48 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -173.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.64 174.67 13.8 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 117.642 1.817 . . . . 0.0 117.642 172.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.18 116.59 30.04 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.079 1.351 . . . . 0.0 109.909 174.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.72 157.32 44.48 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -149.44 138.78 21.48 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.26 1.024 . . . . 0.0 111.174 176.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -141.77 152.42 43.75 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.174 1.79 . . . . 0.0 111.733 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.24 134.2 37.84 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.889 -0.507 . . . . 0.0 110.574 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.16 126.22 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.159 1.384 . . . . 0.0 110.618 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.469 0.487 0 O-C-N 121.386 -0.821 . . . . 0.0 109.68 174.549 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.869 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.89 -34.63 1.04 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 127.047 2.261 . . . . 0.0 111.541 -177.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -66.05 -18.58 65.44 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.653 -0.91 . . . . 0.0 109.879 169.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 94.8 m -61.66 -26.87 68.28 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.847 1.659 . . . . 0.0 112.728 174.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.7 m -111.99 140.31 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.583 1.153 . . . . 0.0 112.182 -174.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -66.25 -37.73 86.21 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.855 -1.153 . . . . 0.0 111.413 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.58 143.73 41.68 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.541 1.936 . . . . 0.0 108.846 175.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -81.33 125.49 30.43 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.14 0.976 . . . . 0.0 109.452 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 45.67 59.66 14.62 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.946 1.298 . . . . 0.0 113.27 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -63.15 147.0 94.53 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.198 2.598 . . . . 0.0 111.361 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -78.95 144.28 34.96 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.176 -1.577 . . . . 0.0 109.448 175.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -119.64 31.41 6.57 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.89 36.94 68.08 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 123.382 0.515 . . . . 0.0 113.186 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 84.22 7.07 0.59 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 128.82 2.848 . . . . 0.0 114.739 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.7 m -69.49 118.49 12.44 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.296 -1.503 . . . . 0.0 111.584 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.7 m -122.99 109.84 14.62 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.65 1.18 . . . . 0.0 110.319 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.22 145.28 46.18 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.312 1.845 . . . . 0.0 113.685 -175.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.92 -6.85 38.19 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.816 2.047 . . . . 0.0 113.584 176.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -147.57 149.49 32.68 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.766 1.227 . . . . 0.0 111.705 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.09 -177.09 17.03 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.154 1.359 . . . . 0.0 114.624 177.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.5 m -151.96 116.46 5.06 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.574 2.35 . . . . 0.0 108.287 176.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.01 77.01 2.21 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 -174.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.6 mt -50.75 -31.07 15.63 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -177.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.4 mt -69.55 -20.44 63.68 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 177.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -100.56 -32.81 10.59 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.076 0.95 . . . . 0.0 109.904 174.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -66.07 110.6 3.01 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.252 0.549 . . . . 0.0 110.343 175.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.5 p -91.99 7.19 43.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.551 1.14 . . . . 0.0 112.484 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.66 149.19 24.89 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.919 1.247 . . . . 0.0 110.08 -176.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.457 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.0 t -53.19 167.49 0.18 Allowed 'General case' 0 C--O 1.238 0.481 0 C-N-CA 125.62 1.568 . . . . 0.0 114.218 -177.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.67 -12.41 6.04 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.269 172.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -72.99 -35.81 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 CA-C-N 119.889 1.222 . . . . 0.0 109.088 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.0 p -130.75 -16.05 3.38 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 81.55 16.11 0.5 Allowed 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -85.23 147.38 26.61 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.104 -1.622 . . . . 0.0 113.26 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -122.44 160.69 25.0 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.517 1.527 . . . . 0.0 110.146 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.273 3.9 p30 52.86 26.23 4.47 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.372 1.869 . . . . 0.0 114.691 -175.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -122.52 98.53 5.96 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 128.758 2.823 . . . . 0.0 111.254 -177.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.64 149.6 16.89 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 176.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.12 165.23 19.94 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 130.936 3.694 . . . . 0.0 109.561 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -125.76 132.2 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 125.645 1.578 . . . . 0.0 106.796 175.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.07 174.74 11.03 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.783 0.833 . . . . 0.0 110.73 177.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.3 t30 57.56 18.07 4.36 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 124.543 1.137 . . . . 0.0 113.485 174.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -60.84 109.92 1.19 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 127.542 2.337 . . . . 0.0 111.88 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.7 m -107.49 156.15 19.29 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.502 1.521 . . . . 0.0 112.12 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -138.49 137.81 37.48 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.573 1.549 . . . . 0.0 110.378 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -131.95 146.69 52.25 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 126.498 1.919 . . . . 0.0 111.536 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -138.92 116.31 11.2 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 117.855 0.298 . . . . 0.0 111.801 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.84 121.54 40.26 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.074 1.35 . . . . 0.0 113.185 173.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.7 t70 45.0 20.56 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 118.52 2.785 . . . . 0.0 118.52 172.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.63 -21.23 9.19 Favored Glycine 0 N--CA 1.479 1.504 0 C-N-CA 126.359 1.933 . . . . 0.0 113.07 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -74.23 136.32 42.73 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.989 1.316 . . . . 0.0 108.752 174.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -117.93 129.84 55.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.759 1.624 . . . . 0.0 108.624 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -122.89 138.22 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 124.164 0.986 . . . . 0.0 109.263 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.1 t -132.44 118.18 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.771 1.228 . . . . 0.0 109.069 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.5 p -122.04 132.97 54.78 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.649 0.78 . . . . 0.0 112.07 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -150.98 -168.16 3.03 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -141.71 158.36 43.91 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.895 1.278 . . . . 0.0 109.911 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -108.38 138.68 44.26 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 106.436 -1.691 . . . . 0.0 106.436 172.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -132.76 131.04 40.73 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.698 1.199 . . . . 0.0 110.241 -175.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.1 t -57.64 123.97 17.45 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.536 1.134 . . . . 0.0 111.137 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -62.92 -12.82 27.85 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 120.177 -1.577 . . . . 0.0 111.855 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -96.05 -66.29 0.92 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.388 1.075 . . . . 0.0 111.943 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.6 p -94.44 -5.75 45.56 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.308 64.8 m80 52.83 19.85 1.43 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 126.453 1.901 . . . . 0.0 114.964 -176.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.27 146.53 54.05 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 170.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.7 t -75.07 103.22 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 O-C-N 121.736 -0.602 . . . . 0.0 109.67 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.3 mt -60.08 -45.34 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.504 1.521 . . . . 0.0 110.909 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.96 164.78 23.1 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.704 1.201 . . . . 0.0 112.03 -176.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.01 145.3 37.25 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.372 1.469 . . . . 0.0 108.699 173.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -127.14 138.72 53.22 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.336 1.454 . . . . 0.0 112.073 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -139.55 132.96 30.13 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.573 1.149 . . . . 0.0 108.666 174.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -131.94 126.24 33.58 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 174.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.92 135.78 49.5 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -130.32 127.5 39.59 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.026 0.931 . . . . 0.0 110.349 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -126.2 142.81 51.38 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.861 2.064 . . . . 0.0 113.706 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.4 mt -114.34 121.46 66.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 171.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . 0.386 0.0 OUTLIER -119.96 121.05 38.12 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 174.55 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.5 t0 54.87 -67.93 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 128.719 2.807 . . . . 0.0 116.889 175.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -138.28 4.04 2.41 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.045 1.738 . . . . 0.0 112.652 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.39 173.38 11.14 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.675 1.125 . . . . 0.0 109.698 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -124.41 143.51 50.58 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 125.612 1.565 . . . . 0.0 109.091 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -122.64 130.93 53.53 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 127.798 2.439 . . . . 0.0 110.008 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -122.15 130.7 53.46 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 125.15 1.38 . . . . 0.0 109.09 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.86 143.1 36.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 122.209 1.004 . . . . 0.0 109.47 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 54.8 ttp -138.62 144.5 39.77 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 125.663 1.585 . . . . 0.0 109.017 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.08 105.05 3.19 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.143 1.777 . . . . 0.0 110.008 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.2 t -141.95 137.09 31.01 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 126.245 1.818 . . . . 0.0 109.906 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.09 -33.36 71.99 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.21 1.004 . . . . 0.0 112.04 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.5 tp -96.68 -63.02 1.18 Allowed 'General case' 0 C--O 1.232 0.153 0 C-N-CA 125.242 1.417 . . . . 0.0 111.314 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.4 m -64.47 -39.45 93.84 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.996 0.918 . . . . 0.0 112.883 -173.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.9 175.78 14.17 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 117.692 1.837 . . . . 0.0 117.692 173.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -113.32 117.89 33.07 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.249 1.42 . . . . 0.0 110.294 174.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.73 157.17 44.58 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -178.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -150.68 137.79 19.3 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.425 1.09 . . . . 0.0 111.139 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -141.73 152.51 43.89 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.261 1.825 . . . . 0.0 111.914 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -136.02 134.26 38.32 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.83 -0.544 . . . . 0.0 111.032 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.1 mt -122.21 127.26 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.665 1.586 . . . . 0.0 110.925 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.469 0.503 0 O-C-N 121.448 -0.782 . . . . 0.0 109.671 174.443 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.06 -35.04 1.07 Allowed Glycine 0 CA--C 1.532 1.145 0 C-N-CA 126.83 2.157 . . . . 0.0 111.318 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.0 -19.09 65.74 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.697 -0.884 . . . . 0.0 109.892 169.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 72.0 m -61.07 -27.6 68.47 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.239 1.816 . . . . 0.0 112.74 174.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 m -110.52 139.99 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.492 1.117 . . . . 0.0 111.781 -174.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.21 -40.77 94.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.856 1.263 . . . . 0.0 110.582 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -134.36 142.05 47.08 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 127.139 2.175 . . . . 0.0 109.31 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -81.98 124.17 29.53 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.562 0.745 . . . . 0.0 109.141 175.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 46.5 59.77 15.4 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.839 1.256 . . . . 0.0 113.237 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -63.03 145.95 94.4 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.289 2.659 . . . . 0.0 111.652 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -77.73 143.86 37.69 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 120.57 -1.331 . . . . 0.0 109.438 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -118.75 31.06 6.85 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -176.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.88 37.22 69.14 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 123.433 0.539 . . . . 0.0 113.025 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.51 7.03 0.7 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 128.78 2.832 . . . . 0.0 114.719 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.9 m -70.87 118.49 13.72 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.257 -1.527 . . . . 0.0 111.562 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.6 m -122.08 109.23 14.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.634 1.174 . . . . 0.0 110.266 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -118.29 145.94 44.69 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.263 1.825 . . . . 0.0 113.527 -175.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.65 -7.71 40.03 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.238 1.815 . . . . 0.0 112.958 176.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -145.25 156.73 44.01 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.38 -168.28 12.97 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.984 1.754 . . . . 0.0 114.791 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.2 m -152.23 119.82 6.06 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.029 2.131 . . . . 0.0 108.134 177.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -74.95 77.79 2.17 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 115.994 1.849 . . . . 0.0 115.994 -174.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.4 mt -51.45 -29.51 16.45 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -177.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.4 mt -70.77 -19.56 62.7 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -101.83 -33.79 9.67 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.448 1.099 . . . . 0.0 109.483 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -65.78 108.99 2.29 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.652 0.66 . . . . 0.0 110.009 175.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.9 p -87.73 1.2 54.45 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.94 0.896 . . . . 0.0 112.19 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.0 150.58 26.45 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.803 1.668 . . . . 0.0 109.467 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.452 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.3 t -53.01 167.5 0.16 Allowed 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.386 1.474 . . . . 0.0 114.346 -177.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.45 -11.55 6.82 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.326 1.051 . . . . 0.0 112.163 171.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.5 t -74.47 -35.61 39.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 119.614 1.097 . . . . 0.0 109.022 172.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.6 p -131.74 -15.72 3.04 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 116.418 2.007 . . . . 0.0 116.418 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.08 16.37 0.55 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 116.261 1.948 . . . . 0.0 116.261 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -84.71 147.25 27.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 119.739 -1.851 . . . . 0.0 113.198 179.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -121.83 160.65 24.23 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 125.538 1.535 . . . . 0.0 110.107 175.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.263 4.0 p30 52.14 26.75 4.07 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.357 1.863 . . . . 0.0 115.087 -175.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -121.74 99.31 6.39 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 128.726 2.81 . . . . 0.0 111.199 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.69 150.16 19.03 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 177.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.21 167.38 16.94 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 131.405 3.882 . . . . 0.0 109.712 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.1 mt -128.18 133.93 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.332 1.853 . . . . 0.0 107.083 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.16 173.58 12.39 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.664 0.785 . . . . 0.0 111.801 178.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.267 0.0 OUTLIER 55.98 13.18 1.07 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.432 2.293 . . . . 0.0 115.355 179.438 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -53.75 113.82 1.33 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 128.066 2.546 . . . . 0.0 114.351 -177.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.3 m -107.51 156.19 19.25 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 125.517 1.527 . . . . 0.0 112.68 176.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 tt -138.73 137.82 37.11 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.062 1.745 . . . . 0.0 109.167 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -131.81 146.68 52.27 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 126.095 1.758 . . . . 0.0 111.003 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -138.77 116.15 11.19 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.952 0.406 . . . . 0.0 110.473 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -118.87 121.51 40.15 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.351 1.46 . . . . 0.0 113.388 174.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 46.23 20.83 0.09 Allowed 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 171.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.73 -20.87 9.92 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 126.16 1.838 . . . . 0.0 113.24 -177.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -75.71 137.15 40.44 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.736 1.214 . . . . 0.0 109.024 174.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -117.97 129.77 55.8 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.663 1.585 . . . . 0.0 108.712 176.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -124.84 140.07 49.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 O-C-N 121.42 -0.8 . . . . 0.0 109.439 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.5 t -132.47 118.07 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 124.546 1.138 . . . . 0.0 108.648 177.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -122.08 133.9 54.77 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.843 0.857 . . . . 0.0 111.886 177.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -155.76 -170.33 3.38 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.6 158.25 44.07 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.979 1.312 . . . . 0.0 108.956 -178.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -112.12 140.49 46.77 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.297 1.439 . . . . 0.0 108.084 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mp -132.16 134.44 45.4 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.812 1.245 . . . . 0.0 111.022 -176.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -59.49 122.92 15.23 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.546 1.138 . . . . 0.0 110.711 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -62.67 -13.33 30.89 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.052 -1.655 . . . . 0.0 111.808 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -94.83 -67.46 0.85 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.418 1.087 . . . . 0.0 111.706 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.3 p -93.28 -5.96 48.58 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 72.4 m80 53.38 21.52 2.41 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.361 1.865 . . . . 0.0 115.023 -177.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.42 146.78 51.76 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.965 1.306 . . . . 0.0 107.592 169.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.5 t -75.74 105.47 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 121.598 -0.689 . . . . 0.0 109.929 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.5 mt -62.16 -46.01 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.591 1.556 . . . . 0.0 111.176 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.2 168.53 20.57 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.595 1.158 . . . . 0.0 112.744 -175.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -116.43 140.48 49.3 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.041 1.736 . . . . 0.0 109.147 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -124.32 139.18 54.15 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.007 1.723 . . . . 0.0 112.674 -176.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -139.38 131.96 28.8 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.697 1.199 . . . . 0.0 108.631 174.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -131.23 126.68 36.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 173.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.25 135.78 49.24 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -128.78 127.07 41.26 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.917 0.887 . . . . 0.0 110.179 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.88 142.95 51.13 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.52 1.928 . . . . 0.0 113.658 -176.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.02 122.0 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 O-C-N 121.056 -1.028 . . . . 0.0 109.922 174.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.43 115.83 24.89 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.728 1.211 . . . . 0.0 113.833 177.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 51.21 -68.88 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 128.534 2.734 . . . . 0.0 117.471 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -136.36 5.95 3.0 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.993 2.117 . . . . 0.0 112.11 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.44 170.44 14.68 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 120.879 -1.138 . . . . 0.0 109.613 -175.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -122.96 143.49 49.87 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.8 1.24 . . . . 0.0 109.332 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -121.25 130.6 53.75 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 126.934 2.094 . . . . 0.0 109.504 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -122.23 130.11 52.87 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 125.012 1.325 . . . . 0.0 109.235 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.91 142.71 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 122.173 0.987 . . . . 0.0 109.467 177.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.9 ttp -139.02 145.08 39.21 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 125.788 1.635 . . . . 0.0 109.371 177.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 tp -151.62 105.41 3.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.22 1.808 . . . . 0.0 110.286 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.2 t -142.64 137.13 29.77 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 126.23 1.812 . . . . 0.0 110.099 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.7 tp -59.19 -34.13 71.78 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.244 1.018 . . . . 0.0 111.785 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.2 tp -96.49 -63.33 1.15 Allowed 'General case' 0 C--O 1.232 0.161 0 C-N-CA 124.988 1.315 . . . . 0.0 111.276 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 74.6 m -64.29 -37.42 87.42 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -173.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.15 175.16 13.97 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 117.611 1.804 . . . . 0.0 117.611 172.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -113.77 117.02 30.31 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.288 1.435 . . . . 0.0 110.321 175.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.61 157.26 44.55 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -150.46 137.81 19.57 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.383 1.073 . . . . 0.0 110.974 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -141.79 152.5 43.8 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.189 1.796 . . . . 0.0 111.741 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.97 133.92 38.06 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.852 -0.53 . . . . 0.0 110.762 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.9 mt -122.23 125.96 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.172 1.389 . . . . 0.0 110.731 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.2 p . . . . . 0 N--CA 1.47 0.536 0 O-C-N 121.529 -0.732 . . . . 0.0 109.53 174.042 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.831 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.21 -35.04 1.1 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 126.831 2.158 . . . . 0.0 111.403 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.57 -17.77 65.0 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 117.978 0.889 . . . . 0.0 109.955 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.445 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 66.8 m -61.51 -27.97 68.98 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.053 1.741 . . . . 0.0 112.62 174.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.3 m -110.9 140.22 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.499 1.12 . . . . 0.0 111.578 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.16 -42.23 93.95 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 120.847 -1.158 . . . . 0.0 110.426 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -131.88 142.0 49.55 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.998 1.719 . . . . 0.0 109.69 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.06 124.66 29.38 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.004 0.922 . . . . 0.0 109.273 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 46.64 60.02 15.23 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 124.776 1.23 . . . . 0.0 113.248 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -62.86 145.27 94.59 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.302 2.668 . . . . 0.0 111.512 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -77.29 144.65 37.97 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.577 -1.327 . . . . 0.0 109.408 175.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -116.16 28.87 8.32 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -176.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.48 12.15 12.26 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 126.227 1.87 . . . . 0.0 116.378 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 121.22 -3.53 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.139 1 C-N-CA 132.776 4.43 . . . . 0.0 115.528 178.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.4 m -65.18 117.72 8.18 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.922 -1.111 . . . . 0.0 112.788 -176.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.9 m -123.18 109.59 14.19 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.868 1.267 . . . . 0.0 110.226 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.38 149.55 42.81 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.931 1.692 . . . . 0.0 113.93 -175.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.53 1.93 38.55 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.425 2.29 . . . . 0.0 112.726 175.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -141.38 158.97 43.17 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.349 1.46 . . . . 0.0 113.202 -177.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.88 -176.0 35.84 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.273 1.416 . . . . 0.0 115.987 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.5 m -146.01 122.5 11.04 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.873 2.469 . . . . 0.0 108.425 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -74.94 76.51 2.17 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.2 mt -51.77 -29.48 19.02 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.0 mt -70.19 -20.22 63.13 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.398 1.079 . . . . 0.0 113.229 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -101.68 -32.27 10.4 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.98 0.912 . . . . 0.0 110.35 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -66.17 109.71 2.73 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.141 0.495 . . . . 0.0 109.801 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.1 p -89.2 4.29 49.12 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.314 1.045 . . . . 0.0 112.199 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.12 149.82 26.25 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.526 1.536 . . . . 0.0 109.813 -175.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.445 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.5 t -53.62 167.82 0.21 Allowed 'General case' 0 C--O 1.239 0.509 0 C-N-CA 125.532 1.533 . . . . 0.0 114.218 -177.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.59 -11.56 6.74 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.277 1.031 . . . . 0.0 112.168 172.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.8 t -74.19 -35.39 40.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 119.735 1.152 . . . . 0.0 109.071 171.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 p -131.98 -14.76 3.06 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 116.505 2.039 . . . . 0.0 116.505 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 80.09 17.74 0.68 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -87.97 144.12 26.72 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 119.667 -1.895 . . . . 0.0 113.39 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -118.31 160.78 21.05 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.715 1.606 . . . . 0.0 110.206 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.265 4.0 p30 52.28 26.56 4.1 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.531 1.932 . . . . 0.0 115.023 -176.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -121.75 98.71 6.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 128.565 2.746 . . . . 0.0 111.143 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.75 150.92 19.57 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.45 165.98 18.78 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 131.364 3.866 . . . . 0.0 109.092 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.3 mt -128.58 134.8 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 125.92 1.688 . . . . 0.0 106.876 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.41 172.41 13.97 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.285 0.634 . . . . 0.0 111.778 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER 58.58 14.43 3.06 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.462 2.305 . . . . 0.0 115.151 178.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -51.72 112.06 0.7 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.839 2.055 . . . . 0.0 113.217 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.0 m -107.46 156.04 19.39 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.429 1.492 . . . . 0.0 112.13 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.17 137.85 34.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.679 1.591 . . . . 0.0 110.035 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -131.84 146.65 52.25 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 126.473 1.909 . . . . 0.0 111.029 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -138.5 116.27 11.49 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.865 0.364 . . . . 0.0 110.745 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -118.93 121.4 39.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.349 1.46 . . . . 0.0 113.247 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.2 t70 45.6 20.89 0.07 Allowed 'General case' 0 CA--C 1.559 1.293 0 N-CA-C 118.37 2.73 . . . . 0.0 118.37 172.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.69 -21.06 9.88 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.196 1.855 . . . . 0.0 113.203 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -75.03 136.95 41.2 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.015 1.326 . . . . 0.0 108.951 174.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -118.06 129.78 55.77 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.725 1.61 . . . . 0.0 108.554 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.0 139.33 50.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 123.865 0.866 . . . . 0.0 109.44 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.49 118.18 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 124.844 1.258 . . . . 0.0 108.887 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.0 p -122.08 135.07 54.77 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.505 0.722 . . . . 0.0 112.049 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -153.55 -170.8 3.7 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.67 158.13 44.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.16 1.384 . . . . 0.0 108.68 -178.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -112.78 141.32 46.72 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.082 1.353 . . . . 0.0 108.176 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.5 134.51 45.1 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.758 1.223 . . . . 0.0 110.896 -175.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.4 t -59.75 122.61 14.61 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.499 1.12 . . . . 0.0 110.738 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -62.23 -13.26 26.15 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 120.055 -1.653 . . . . 0.0 111.685 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -95.53 -65.8 0.95 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.712 1.205 . . . . 0.0 112.082 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.1 p -95.64 -5.25 42.85 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.303 73.0 m80 53.35 20.53 1.99 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.43 1.892 . . . . 0.0 115.226 -177.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.35 146.63 53.08 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 170.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.1 t -75.81 104.87 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 121.556 -0.715 . . . . 0.0 109.858 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.8 mt -61.75 -46.28 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.617 1.567 . . . . 0.0 111.315 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.84 168.59 21.1 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.573 1.149 . . . . 0.0 112.642 -175.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -117.04 140.06 49.94 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.952 1.701 . . . . 0.0 109.194 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.06 139.14 54.39 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.139 1.776 . . . . 0.0 112.614 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -140.17 131.27 26.36 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.552 1.141 . . . . 0.0 108.945 174.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -130.3 126.64 37.7 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 173.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.04 135.86 49.5 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -128.49 127.37 42.31 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.239 1.016 . . . . 0.0 110.021 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.92 142.89 51.13 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.524 1.93 . . . . 0.0 113.588 -176.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.9 mt -109.91 121.99 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 O-C-N 121.047 -1.033 . . . . 0.0 109.843 174.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.0 ptp -119.41 115.72 24.66 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.62 1.168 . . . . 0.0 113.508 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 50.11 -73.17 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 128.206 2.602 . . . . 0.0 116.916 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -131.75 7.23 4.41 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.922 2.089 . . . . 0.0 112.27 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -132.39 170.43 15.11 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 120.771 -1.206 . . . . 0.0 109.766 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -123.0 143.46 49.91 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 125.045 1.338 . . . . 0.0 109.25 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -121.55 131.04 53.91 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 126.9 2.08 . . . . 0.0 109.654 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -122.38 129.96 52.63 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 124.981 1.312 . . . . 0.0 109.079 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.94 142.66 36.39 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.927 0.87 . . . . 0.0 109.065 177.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.0 ttp -137.72 145.92 43.09 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 125.782 1.633 . . . . 0.0 109.362 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.51 105.2 3.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.374 1.87 . . . . 0.0 110.223 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.5 t -142.17 136.58 30.12 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 126.162 1.785 . . . . 0.0 110.035 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 tp -58.86 -34.28 71.42 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.166 0.986 . . . . 0.0 111.781 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.2 tp -96.09 -63.93 1.1 Allowed 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.049 1.34 . . . . 0.0 111.22 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 70.3 m -64.49 -36.5 84.4 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.167 0.987 . . . . 0.0 113.6 -172.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.99 174.0 13.63 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 117.899 1.92 . . . . 0.0 117.899 172.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -113.04 116.23 29.59 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.351 1.46 . . . . 0.0 110.027 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.7 157.3 44.5 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -149.47 138.89 21.52 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.349 1.06 . . . . 0.0 111.156 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -141.74 152.46 43.83 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.037 1.735 . . . . 0.0 111.616 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.32 134.36 37.86 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.733 -0.605 . . . . 0.0 110.579 174.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.1 mt -122.12 126.07 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.174 1.39 . . . . 0.0 110.721 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 p -82.68 132.75 35.17 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.642 -0.661 . . . . 0.0 109.76 174.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.31 -177.45 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.705 1.202 . . . . 0.0 113.08 -176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.9 mt -134.97 162.99 54.45 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 127.196 2.198 . . . . 0.0 110.437 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -60.3 -17.45 46.89 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.131 2.554 . . . . 0.0 113.896 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -73.75 -2.9 25.33 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.547 1.539 . . . . 0.0 112.905 174.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.2 t0 51.45 53.92 14.08 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 127.34 2.256 . . . . 0.0 114.918 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.77 -24.35 11.72 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 123.577 2.851 . . . . 0.0 115.212 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 48.07 31.32 2.42 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 126.859 2.064 . . . . 0.0 115.102 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 . . . . . 0 N--CA 1.476 0.848 0 C-N-CA 126.571 1.948 . . . . 0.0 113.3 -177.891 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.83 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.14 -34.9 1.09 Allowed Glycine 0 CA--C 1.532 1.106 0 C-N-CA 126.843 2.163 . . . . 0.0 111.48 -176.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -66.86 -18.02 65.17 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.631 -0.923 . . . . 0.0 109.96 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.448 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 66.7 m -60.81 -28.91 69.14 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.873 1.669 . . . . 0.0 112.448 174.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.3 m -110.1 139.75 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.678 1.191 . . . . 0.0 111.895 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -64.77 -40.76 95.79 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.731 1.212 . . . . 0.0 110.641 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -133.81 141.72 47.56 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.013 2.125 . . . . 0.0 109.276 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -81.8 123.65 28.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.502 0.721 . . . . 0.0 109.116 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 47.17 59.97 15.73 Favored Pre-proline 0 N--CA 1.476 0.864 0 C-N-CA 124.7 1.2 . . . . 0.0 113.173 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -63.07 145.51 94.04 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.146 2.564 . . . . 0.0 111.495 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -77.73 143.7 37.82 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.568 -1.333 . . . . 0.0 109.444 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -115.99 30.86 7.08 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.95 12.33 10.77 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 126.17 1.843 . . . . 0.0 116.578 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 121.94 -3.73 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.092 1 C-N-CA 132.725 4.41 . . . . 0.0 115.614 178.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 86.5 m -64.75 116.98 6.83 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 120.904 -1.123 . . . . 0.0 112.731 -176.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.0 m -122.89 109.74 14.54 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.859 1.264 . . . . 0.0 110.212 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.26 149.33 43.03 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.989 1.716 . . . . 0.0 113.843 -175.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.17 0.89 38.45 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.313 2.245 . . . . 0.0 112.742 175.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -141.46 159.09 42.94 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.283 1.433 . . . . 0.0 113.205 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.92 -175.03 33.45 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.245 1.402 . . . . 0.0 115.956 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.8 m -146.53 122.28 10.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.844 2.457 . . . . 0.0 108.406 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -75.82 77.47 2.75 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.6 mt -51.5 -29.39 16.47 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 -177.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.1 mt -70.53 -19.99 62.86 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -101.34 -33.72 9.91 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.31 1.044 . . . . 0.0 109.498 174.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -65.63 109.42 2.39 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.653 -0.655 . . . . 0.0 110.097 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.9 p -90.57 6.64 42.85 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.208 1.003 . . . . 0.0 112.218 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.61 150.36 26.62 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.262 1.411 . . . . 0.0 109.798 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.448 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.6 t -53.36 168.7 0.14 Allowed 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.619 1.568 . . . . 0.0 114.255 -177.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.52 -11.63 6.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.227 171.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.3 t -74.14 -35.77 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 119.647 1.112 . . . . 0.0 109.026 171.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.3 p -131.35 -16.44 3.1 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.29 16.42 0.52 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -84.27 146.01 28.0 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 119.719 -1.863 . . . . 0.0 113.15 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -120.77 160.68 22.87 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.684 1.594 . . . . 0.0 110.117 175.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.26 26.66 4.13 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.387 1.875 . . . . 0.0 114.827 -176.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.2 98.91 6.15 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 128.829 2.851 . . . . 0.0 111.33 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.88 150.52 18.99 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 176.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.56 165.77 19.28 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 131.324 3.85 . . . . 0.0 109.322 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.0 mt -127.93 134.4 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.949 1.7 . . . . 0.0 106.879 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.46 172.77 13.42 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.38 0.672 . . . . 0.0 111.71 178.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.278 0.0 OUTLIER 57.92 15.76 3.28 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.305 2.242 . . . . 0.0 114.952 178.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -54.17 113.02 1.09 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.909 2.084 . . . . 0.0 113.643 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.0 m -107.5 156.11 19.33 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.367 1.467 . . . . 0.0 112.325 176.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -138.74 137.75 37.03 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.774 1.63 . . . . 0.0 109.707 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -132.03 146.63 52.19 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.53 1.932 . . . . 0.0 111.18 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -138.66 116.26 11.36 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -118.86 121.38 39.87 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.101 1.36 . . . . 0.0 113.066 175.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 45.05 20.35 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 118.507 2.78 . . . . 0.0 118.507 171.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.37 -21.34 9.31 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.388 1.947 . . . . 0.0 113.293 -176.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -74.53 136.94 42.15 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.19 1.396 . . . . 0.0 109.01 174.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -117.96 129.88 55.87 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.572 1.549 . . . . 0.0 108.771 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.65 139.71 49.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 123.911 0.884 . . . . 0.0 109.448 -178.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -132.44 118.13 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 124.885 1.274 . . . . 0.0 108.781 177.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.5 p -122.0 134.98 54.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.617 0.767 . . . . 0.0 112.09 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -154.34 -170.4 3.53 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.674 0.991 . . . . 0.0 113.674 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.61 158.22 44.11 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.053 1.341 . . . . 0.0 108.822 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -112.3 141.44 46.02 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.138 1.375 . . . . 0.0 108.165 176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.79 134.36 44.6 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.755 1.222 . . . . 0.0 111.06 -175.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.1 t -59.54 123.28 16.35 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.5 1.12 . . . . 0.0 110.699 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -62.84 -13.52 34.76 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.079 -1.638 . . . . 0.0 111.725 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -94.92 -67.76 0.84 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.433 1.093 . . . . 0.0 111.69 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.3 p -92.82 -6.04 49.74 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.301 73.3 m80 53.42 20.72 2.1 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.356 1.862 . . . . 0.0 115.166 -177.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.58 146.73 52.81 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.889 1.276 . . . . 0.0 107.604 169.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.4 t -75.7 105.07 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 121.585 -0.697 . . . . 0.0 109.902 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.3 mt -61.9 -45.91 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 125.513 1.525 . . . . 0.0 111.246 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.1 168.36 21.0 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.507 1.123 . . . . 0.0 112.691 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -116.49 140.26 49.56 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.961 1.704 . . . . 0.0 109.116 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.63 138.83 54.47 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.104 1.762 . . . . 0.0 112.651 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -139.81 131.2 26.85 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.528 1.131 . . . . 0.0 108.877 174.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -130.54 126.64 37.3 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 173.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.91 135.86 49.62 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -128.27 127.4 42.73 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.11 0.964 . . . . 0.0 109.811 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.31 142.93 50.99 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.478 1.911 . . . . 0.0 113.52 -176.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.9 mt -109.66 121.92 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 O-C-N 120.969 -1.082 . . . . 0.0 109.794 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.75 24.72 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.749 1.22 . . . . 0.0 114.218 177.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t0 51.6 -68.88 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.494 2.717 . . . . 0.0 117.333 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -135.44 6.0 3.24 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.881 2.072 . . . . 0.0 112.195 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.69 170.86 14.21 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.779 -1.201 . . . . 0.0 109.872 -175.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -122.29 143.48 49.59 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.961 1.304 . . . . 0.0 109.286 175.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -121.79 131.12 53.89 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 126.957 2.103 . . . . 0.0 109.575 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -122.45 130.08 52.7 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.98 1.312 . . . . 0.0 109.043 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.89 142.54 36.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.885 0.85 . . . . 0.0 109.13 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.4 ttp -137.57 145.74 43.22 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 125.863 1.665 . . . . 0.0 109.298 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.5 104.99 3.12 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.388 1.875 . . . . 0.0 110.14 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.3 t -142.33 136.84 30.09 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.178 1.791 . . . . 0.0 110.03 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.7 tp -58.99 -33.92 71.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.221 1.008 . . . . 0.0 111.797 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.0 tp -96.82 -63.29 1.15 Allowed 'General case' 0 C--O 1.233 0.204 0 C-N-CA 125.132 1.373 . . . . 0.0 111.288 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.33 -37.54 87.87 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.89 174.59 13.77 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 117.657 1.823 . . . . 0.0 117.657 172.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -113.24 115.96 29.02 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.272 1.429 . . . . 0.0 109.931 174.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.72 157.28 44.51 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -149.21 139.2 22.05 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.339 1.056 . . . . 0.0 111.062 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -141.7 152.49 43.92 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.076 1.75 . . . . 0.0 111.628 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.63 133.93 36.8 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.701 -0.624 . . . . 0.0 110.658 174.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.4 mt -122.25 126.33 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.225 1.41 . . . . 0.0 110.829 -177.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.4 p -82.89 134.36 35.09 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.362 -0.837 . . . . 0.0 109.9 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 pp -134.42 179.0 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.664 1.186 . . . . 0.0 113.47 -175.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 62.5 mt -139.5 161.64 55.78 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 127.267 2.227 . . . . 0.0 109.943 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -61.27 -18.01 56.25 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 123.079 2.519 . . . . 0.0 113.976 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -75.5 -1.86 26.18 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.427 1.491 . . . . 0.0 113.069 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 49.3 t0 51.92 56.55 15.94 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 127.103 2.161 . . . . 0.0 114.805 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -74.17 -23.99 15.16 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 122.97 2.447 . . . . 0.0 112.819 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 37.34 40.61 0.21 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 128.442 2.697 . . . . 0.0 115.867 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 127.17 2.188 . . . . 0.0 113.612 -178.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.81 -33.61 1.03 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 126.943 2.211 . . . . 0.0 111.881 -177.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.58 -18.14 65.2 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 118.069 0.934 . . . . 0.0 110.031 169.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.8 m -61.85 -27.42 68.77 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.837 1.655 . . . . 0.0 112.797 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 m -111.04 138.89 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.716 1.206 . . . . 0.0 111.805 -174.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -64.79 -37.95 89.34 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.998 -1.064 . . . . 0.0 111.268 177.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -137.25 143.96 42.51 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.618 1.967 . . . . 0.0 109.444 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -81.4 125.0 29.88 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.946 0.898 . . . . 0.0 109.379 175.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 45.99 59.65 14.99 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.896 1.279 . . . . 0.0 113.215 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -63.13 144.99 93.46 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.18 2.587 . . . . 0.0 111.549 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -76.96 143.76 39.25 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.471 -1.393 . . . . 0.0 109.462 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.27 31.09 6.78 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -175.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.79 39.6 77.61 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 123.428 0.537 . . . . 0.0 112.876 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 78.84 13.27 1.31 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 128.298 2.639 . . . . 0.0 114.624 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.7 m -76.46 117.98 18.67 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.325 -1.485 . . . . 0.0 111.152 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.1 m -122.26 110.05 15.22 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.7 1.2 . . . . 0.0 110.401 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.0 145.72 45.61 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.384 1.873 . . . . 0.0 113.941 -175.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.29 -3.73 40.03 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.994 2.118 . . . . 0.0 113.453 176.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -145.93 156.04 43.26 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.725 1.21 . . . . 0.0 112.381 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.46 -175.51 18.93 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.26 1.409 . . . . 0.0 115.232 176.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 m -149.08 119.23 7.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.821 2.448 . . . . 0.0 108.261 177.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.1 77.32 2.26 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -174.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 mt -51.2 -29.87 15.41 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.8 mt -70.77 -20.52 62.6 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 177.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -100.03 -33.62 10.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.964 0.905 . . . . 0.0 109.702 174.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -65.78 109.8 2.59 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.235 0.47 . . . . 0.0 110.013 175.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 p -91.12 7.53 40.1 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.317 1.047 . . . . 0.0 112.248 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.14 150.79 27.13 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 125.295 1.426 . . . . 0.0 109.63 -175.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.69 170.13 0.12 Allowed 'General case' 0 C--O 1.238 0.49 0 C-N-CA 125.692 1.597 . . . . 0.0 114.17 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.62 -11.65 5.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.41 171.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.1 t -73.34 -35.27 45.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 119.731 1.15 . . . . 0.0 108.979 171.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.5 p -131.7 -16.82 2.93 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t 81.75 15.19 0.52 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -83.51 145.28 29.0 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.003 -1.686 . . . . 0.0 113.195 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -119.51 161.04 21.25 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.685 1.594 . . . . 0.0 110.251 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.08 26.52 3.86 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.465 1.906 . . . . 0.0 114.914 -176.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.27 98.83 6.11 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 128.744 2.818 . . . . 0.0 111.228 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.62 150.16 19.14 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.69 165.75 18.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 131.162 3.785 . . . . 0.0 109.495 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.0 mt -127.44 133.58 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.07 1.748 . . . . 0.0 106.918 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.09 170.3 16.95 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.469 0.707 . . . . 0.0 111.304 178.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.273 0.0 OUTLIER 58.02 12.43 1.8 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.171 2.189 . . . . 0.0 115.141 179.261 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -51.89 109.6 0.38 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 127.176 2.191 . . . . 0.0 112.649 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.8 m -107.52 156.1 19.36 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.68 1.592 . . . . 0.0 112.397 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 tt -139.0 137.74 36.61 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.578 1.551 . . . . 0.0 110.072 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -131.44 146.62 52.34 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 126.586 1.954 . . . . 0.0 111.18 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.49 116.36 11.57 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.865 0.364 . . . . 0.0 110.774 175.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -118.98 121.41 39.86 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.473 1.509 . . . . 0.0 113.307 174.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.6 t70 45.48 20.99 0.06 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 118.406 2.743 . . . . 0.0 118.406 172.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.47 -21.04 10.07 Favored Glycine 0 N--CA 1.477 1.381 0 C-N-CA 126.338 1.923 . . . . 0.0 113.225 -177.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -75.17 136.64 41.03 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.955 1.302 . . . . 0.0 108.886 174.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -118.06 129.81 55.78 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 125.677 1.591 . . . . 0.0 108.66 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.91 139.95 48.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 123.897 0.879 . . . . 0.0 109.387 -177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.1 t -132.56 118.05 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 124.975 1.31 . . . . 0.0 108.667 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.7 p -121.9 135.18 54.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.485 0.714 . . . . 0.0 111.623 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -153.22 -172.08 4.13 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.76 158.17 44.13 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.901 1.281 . . . . 0.0 108.596 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -113.5 140.52 48.05 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.058 1.343 . . . . 0.0 108.023 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.39 134.13 44.78 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.678 1.191 . . . . 0.0 111.07 -175.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.3 t -59.57 123.24 16.22 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.436 1.094 . . . . 0.0 110.701 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -62.69 -13.46 32.49 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 120.074 -1.641 . . . . 0.0 111.697 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -94.89 -68.14 0.82 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.442 1.097 . . . . 0.0 111.668 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.44 -6.2 50.42 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.301 73.1 m80 53.56 20.39 2.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.339 1.856 . . . . 0.0 115.126 -177.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.47 146.63 52.99 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.978 1.311 . . . . 0.0 107.558 170.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.6 t -75.73 104.76 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 121.573 -0.704 . . . . 0.0 109.885 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.1 -45.68 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.526 1.531 . . . . 0.0 111.185 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.62 168.15 20.31 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.514 1.126 . . . . 0.0 112.583 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.58 140.28 49.56 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.925 1.69 . . . . 0.0 109.117 174.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.03 139.6 53.9 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.154 1.781 . . . . 0.0 112.721 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -140.2 132.45 28.2 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.548 1.139 . . . . 0.0 108.844 174.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -131.68 126.2 34.0 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 173.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.76 135.85 49.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -128.68 127.63 42.52 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.195 0.998 . . . . 0.0 110.095 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.65 142.88 50.89 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.482 1.913 . . . . 0.0 113.578 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -109.81 121.91 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 O-C-N 121.091 -1.006 . . . . 0.0 109.952 174.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.42 115.71 24.65 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.846 1.258 . . . . 0.0 114.214 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 t0 51.48 -69.16 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 128.499 2.72 . . . . 0.0 117.35 175.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -135.04 6.16 3.35 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.903 2.081 . . . . 0.0 112.169 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.28 171.18 14.03 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.914 -1.116 . . . . 0.0 109.929 -175.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -123.07 143.43 49.97 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.107 1.363 . . . . 0.0 109.219 176.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -121.23 130.0 53.47 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 126.86 2.064 . . . . 0.0 109.518 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -121.94 129.41 52.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 124.89 1.276 . . . . 0.0 109.326 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.93 141.49 36.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 122.094 0.95 . . . . 0.0 109.683 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.0 ttp -137.85 145.25 41.99 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 125.805 1.642 . . . . 0.0 109.388 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.74 105.24 3.11 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.221 1.808 . . . . 0.0 110.357 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.6 t -142.34 136.93 30.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.173 1.789 . . . . 0.0 110.132 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 tp -59.13 -34.36 71.96 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.288 1.035 . . . . 0.0 111.808 176.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.6 tp -96.32 -63.18 1.17 Allowed 'General case' 0 C--O 1.233 0.208 0 C-N-CA 125.055 1.342 . . . . 0.0 111.206 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.2 m -64.56 -37.66 88.34 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 123.887 0.875 . . . . 0.0 113.355 -173.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.32 174.9 13.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 117.652 1.821 . . . . 0.0 117.652 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.47 117.44 31.7 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.151 1.381 . . . . 0.0 110.139 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.61 157.26 44.55 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -150.37 137.76 19.64 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.349 1.059 . . . . 0.0 111.041 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -141.74 152.48 43.85 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.084 1.754 . . . . 0.0 111.77 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.92 132.86 37.02 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.963 -0.461 . . . . 0.0 110.536 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.8 mt -122.25 127.26 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.265 1.426 . . . . 0.0 110.942 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.7 p -82.17 135.45 35.27 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.31 -0.868 . . . . 0.0 110.017 173.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 pp -131.37 179.43 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.968 1.307 . . . . 0.0 112.681 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 78.3 mt -134.01 160.32 68.99 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 126.187 1.795 . . . . 0.0 111.131 -177.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -61.58 -20.2 67.81 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.244 2.629 . . . . 0.0 113.519 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -73.83 -4.78 36.91 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.386 1.474 . . . . 0.0 112.828 174.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.9 t0 47.44 64.75 8.01 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 127.886 2.474 . . . . 0.0 114.976 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -72.6 -12.55 26.95 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.833 3.022 . . . . 0.0 116.249 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? 54.17 17.78 1.57 Allowed 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 126.208 1.803 . . . . 0.0 115.024 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 . . . . . 0 N--CA 1.478 0.934 0 C-N-CA 126.596 1.959 . . . . 0.0 113.34 -175.785 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.62 -34.15 1.0 Allowed Glycine 0 CA--C 1.531 1.08 0 C-N-CA 127.006 2.241 . . . . 0.0 111.648 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -65.61 -18.86 65.64 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.741 -0.858 . . . . 0.0 109.87 169.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.61 -25.22 67.99 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.03 1.732 . . . . 0.0 113.039 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 m -112.28 138.88 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.213 1.005 . . . . 0.0 112.097 -174.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -64.59 -39.33 93.53 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.636 1.174 . . . . 0.0 111.039 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -135.84 143.25 45.02 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.592 1.957 . . . . 0.0 109.534 175.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.45 123.97 29.04 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.907 0.883 . . . . 0.0 109.308 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 47.22 59.96 15.76 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 124.88 1.272 . . . . 0.0 113.379 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -62.53 146.31 95.47 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.52 2.813 . . . . 0.0 111.598 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -78.68 144.93 34.9 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.358 -1.464 . . . . 0.0 109.47 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -117.25 29.46 7.88 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -176.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.81 13.65 13.68 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.952 1.739 . . . . 0.0 116.445 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 119.55 -2.89 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.14 1 C-N-CA 132.494 4.317 . . . . 0.0 115.745 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.4 m -64.49 117.65 7.65 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.961 -1.087 . . . . 0.0 112.844 -176.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 67.5 m -123.6 108.82 13.02 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.906 1.282 . . . . 0.0 110.214 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -120.37 146.47 46.13 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.052 1.741 . . . . 0.0 113.48 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -96.62 -0.18 48.98 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.757 1.223 . . . . 0.0 113.511 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -146.96 156.59 43.18 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.617 1.567 . . . . 0.0 111.803 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.36 -178.72 18.72 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.113 1.339 . . . . 0.0 114.678 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.7 m -150.16 119.33 6.77 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.435 2.294 . . . . 0.0 108.5 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -76.26 77.03 3.05 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 -174.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.9 mt -51.38 -29.63 16.27 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.3 mt -70.51 -20.06 62.86 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.667 1.187 . . . . 0.0 113.39 176.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -101.29 -34.18 9.74 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.111 0.964 . . . . 0.0 109.811 174.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -64.95 110.49 2.47 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.757 -0.589 . . . . 0.0 110.357 176.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.1 p -88.25 0.1 56.51 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.281 1.032 . . . . 0.0 112.245 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.59 150.06 24.85 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.95 1.738 . . . . 0.0 109.531 -175.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.6 t -53.15 167.07 0.19 Allowed 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.437 1.495 . . . . 0.0 114.095 -177.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.71 -10.88 6.73 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.253 1.021 . . . . 0.0 112.242 172.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -74.09 -35.46 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 119.701 1.137 . . . . 0.0 109.04 171.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.7 p -131.74 -14.81 3.14 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t 80.71 17.53 0.57 Allowed 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -87.24 143.88 27.07 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.044 -1.66 . . . . 0.0 113.365 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -117.29 161.09 20.06 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.614 1.566 . . . . 0.0 109.861 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.267 3.8 p30 52.51 25.58 3.69 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 126.31 1.844 . . . . 0.0 115.076 -176.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -121.54 99.4 6.45 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 128.763 2.825 . . . . 0.0 111.155 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.02 149.09 13.94 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 176.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.35 165.04 19.75 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 130.899 3.68 . . . . 0.0 109.055 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -125.89 134.24 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 175.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.27 175.52 11.33 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.477 0.711 . . . . 0.0 110.891 177.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t30 59.15 18.44 6.48 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.668 1.187 . . . . 0.0 113.363 174.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -58.28 113.67 2.06 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.712 2.005 . . . . 0.0 111.889 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.6 m -107.4 156.07 19.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.958 1.703 . . . . 0.0 111.626 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -140.12 137.82 34.78 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.296 1.439 . . . . 0.0 110.539 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -132.06 146.67 52.21 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 126.663 1.985 . . . . 0.0 111.285 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -139.15 116.3 11.05 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.897 0.38 . . . . 0.0 111.329 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -118.86 121.5 40.16 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.362 1.465 . . . . 0.0 113.248 174.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t70 44.82 21.19 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 118.54 2.793 . . . . 0.0 118.54 172.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.76 -20.41 10.05 Favored Glycine 0 N--CA 1.477 1.397 0 C-N-CA 126.231 1.872 . . . . 0.0 113.247 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -75.34 136.78 40.81 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.093 1.357 . . . . 0.0 108.93 174.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -117.91 130.0 55.97 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.607 1.563 . . . . 0.0 108.659 176.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.8 139.32 50.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 123.875 0.87 . . . . 0.0 109.529 -178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.39 118.16 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.985 1.314 . . . . 0.0 109.292 177.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.5 p -121.95 134.92 54.84 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.514 0.726 . . . . 0.0 111.879 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -152.35 -168.79 3.16 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.011 -1.055 . . . . 0.0 113.391 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -141.73 158.24 44.05 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.531 1.132 . . . . 0.0 109.709 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -108.52 139.01 43.88 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mp -132.87 129.28 38.22 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.506 1.123 . . . . 0.0 110.299 -175.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.0 t -56.42 123.69 15.56 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.53 1.132 . . . . 0.0 111.159 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -63.04 -12.62 27.63 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.228 -1.545 . . . . 0.0 111.722 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -96.3 -67.0 0.87 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.312 1.045 . . . . 0.0 111.631 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.2 p -93.84 -5.74 47.38 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 63.7 m80 52.63 20.48 1.54 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.302 1.841 . . . . 0.0 115.018 -176.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 146.19 53.47 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 169.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.8 t -74.64 104.96 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 O-C-N 121.678 -0.639 . . . . 0.0 109.745 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.3 mt -61.03 -45.58 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.377 1.471 . . . . 0.0 110.684 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.75 164.54 23.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.802 1.241 . . . . 0.0 112.131 -176.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -110.44 143.6 40.49 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.28 1.432 . . . . 0.0 108.66 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -125.06 138.27 54.2 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.862 1.665 . . . . 0.0 111.848 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -137.76 132.07 32.18 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.742 1.217 . . . . 0.0 108.863 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -131.39 125.71 33.31 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.46 135.77 49.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.965 0.888 . . . . 0.0 108.675 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -128.57 126.2 39.83 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.017 0.927 . . . . 0.0 110.175 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.01 142.93 51.43 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.516 1.926 . . . . 0.0 113.656 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.2 122.36 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 O-C-N 121.022 -1.049 . . . . 0.0 110.194 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.72 24.66 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.937 1.295 . . . . 0.0 113.434 177.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 51.74 -71.41 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 128.354 2.661 . . . . 0.0 116.708 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -136.31 8.16 3.14 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.764 2.026 . . . . 0.0 111.963 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.03 170.46 13.96 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.95 -1.094 . . . . 0.0 109.159 -175.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.17 143.43 50.51 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 125.007 1.323 . . . . 0.0 109.287 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -121.43 129.28 52.9 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.393 1.877 . . . . 0.0 109.215 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -120.96 128.88 53.15 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 125.01 1.324 . . . . 0.0 109.133 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.88 142.45 36.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 122.02 0.914 . . . . 0.0 109.183 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 ttp -137.05 145.65 44.27 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 125.628 1.571 . . . . 0.0 109.298 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tp -150.84 105.36 3.26 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.352 1.861 . . . . 0.0 110.108 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.7 t -142.12 136.89 30.52 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.291 1.837 . . . . 0.0 109.724 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.4 tp -59.91 -34.45 73.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.218 1.007 . . . . 0.0 111.8 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.9 tp -95.38 -63.82 1.12 Allowed 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 124.911 1.284 . . . . 0.0 111.303 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.1 m -64.72 -37.2 86.79 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 124.161 0.985 . . . . 0.0 113.468 -173.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.12 175.19 13.98 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 118.094 1.998 . . . . 0.0 118.094 172.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -113.18 116.68 30.2 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 125.354 1.462 . . . . 0.0 109.797 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.65 157.27 44.53 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.226 1.011 . . . . 0.0 113.712 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -150.18 139.04 20.89 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.258 1.023 . . . . 0.0 111.532 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.77 152.39 43.72 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.289 1.836 . . . . 0.0 111.785 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.91 134.37 38.66 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.736 -0.603 . . . . 0.0 110.511 174.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.1 mt -122.26 127.74 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.062 1.345 . . . . 0.0 110.841 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.7 p -83.16 131.87 35.11 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.421 -0.799 . . . . 0.0 108.903 173.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.41 -175.04 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 122.517 1.151 . . . . 0.0 113.97 -173.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 70.7 mt -133.86 164.38 44.41 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 128.779 2.832 . . . . 0.0 108.678 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -59.47 -15.49 30.57 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 122.969 2.446 . . . . 0.0 114.595 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.72 -3.85 40.23 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.115 1.366 . . . . 0.0 112.822 174.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.0 t0 49.65 55.27 16.97 Favored Pre-proline 0 CA--C 1.557 1.246 0 C-N-CA 127.502 2.321 . . . . 0.0 114.695 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -74.58 -21.07 17.28 Favored 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 123.991 3.127 . . . . 0.0 115.463 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 45.4 38.53 3.73 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 126.978 2.111 . . . . 0.0 115.197 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 . . . . . 0 N--CA 1.475 0.793 0 C-N-CA 126.302 1.841 . . . . 0.0 113.278 -179.556 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.74 -34.24 1.02 Allowed Glycine 0 CA--C 1.531 1.045 0 C-N-CA 126.967 2.223 . . . . 0.0 111.831 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.53 -18.74 65.55 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 121.698 -0.883 . . . . 0.0 109.982 169.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.4 m -62.57 -25.59 68.15 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.268 1.827 . . . . 0.0 113.056 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.3 m -111.37 138.73 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.118 0.967 . . . . 0.0 111.865 -174.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -64.83 -40.38 95.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.905 1.282 . . . . 0.0 110.334 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -135.37 139.1 43.97 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.741 2.016 . . . . 0.0 108.911 179.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -81.09 125.26 29.99 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.634 0.774 . . . . 0.0 109.367 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 45.51 59.55 14.56 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 124.884 1.274 . . . . 0.0 113.051 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -63.12 143.49 90.39 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.241 2.627 . . . . 0.0 111.785 -178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -76.61 143.23 40.33 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 120.502 -1.374 . . . . 0.0 109.401 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.04 31.21 6.75 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -175.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.99 37.05 69.21 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 123.46 0.552 . . . . 0.0 113.073 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 84.08 6.83 0.62 Allowed 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 128.816 2.847 . . . . 0.0 114.659 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.7 m -70.36 117.25 11.66 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 120.257 -1.527 . . . . 0.0 111.524 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.9 m -121.69 109.8 15.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.543 1.137 . . . . 0.0 110.266 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mp -119.25 145.4 46.1 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.186 1.794 . . . . 0.0 113.598 -175.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.97 -4.56 46.47 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.619 1.967 . . . . 0.0 113.228 176.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -147.35 154.98 41.56 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.261 1.024 . . . . 0.0 112.871 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.83 -176.04 16.85 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.655 1.597 . . . . 0.0 114.563 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.3 m -148.77 118.54 7.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.623 2.369 . . . . 0.0 108.046 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -74.85 77.59 2.12 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -173.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.7 mt -52.46 -29.4 24.49 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.1 mt -71.04 -13.46 61.99 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -110.9 -29.02 8.11 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.167 1.387 . . . . 0.0 110.397 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -67.88 111.2 4.21 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.141 0.882 . . . . 0.0 109.934 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.5 p -87.2 -3.77 59.07 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.824 0.85 . . . . 0.0 112.531 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.86 148.58 20.5 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.943 1.735 . . . . 0.0 109.119 -174.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.4 t -52.72 167.77 0.14 Allowed 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.662 1.585 . . . . 0.0 114.091 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.73 -11.6 6.66 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.311 172.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.7 t -74.0 -35.34 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 119.713 1.142 . . . . 0.0 109.158 171.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.0 p -131.68 -15.65 3.07 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 80.32 17.04 0.67 Allowed 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -84.42 147.27 27.21 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 119.772 -1.83 . . . . 0.0 112.91 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -122.97 160.89 25.29 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.041 1.737 . . . . 0.0 109.881 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.259 4.2 p30 50.93 27.48 3.21 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 126.356 1.862 . . . . 0.0 115.072 -175.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -123.19 100.72 7.0 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 128.708 2.803 . . . . 0.0 111.564 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.34 150.21 17.92 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 176.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.37 167.52 16.08 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 131.218 3.807 . . . . 0.0 108.938 178.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 88.1 mt -129.88 136.44 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.929 1.691 . . . . 0.0 106.97 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.91 173.76 12.97 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.313 0.645 . . . . 0.0 111.611 178.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.281 0.0 OUTLIER 57.59 14.61 2.41 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.414 2.286 . . . . 0.0 115.441 178.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -50.68 111.46 0.55 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.847 2.059 . . . . 0.0 112.901 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.3 m -107.44 155.96 19.47 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.822 1.649 . . . . 0.0 111.834 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -141.38 137.77 32.54 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.555 1.542 . . . . 0.0 110.135 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -131.48 146.63 52.33 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.53 1.932 . . . . 0.0 111.113 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -138.73 116.31 11.34 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -118.95 121.41 39.87 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.422 1.489 . . . . 0.0 113.382 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t70 45.69 20.91 0.07 Allowed 'General case' 0 CA--C 1.559 1.298 0 N-CA-C 118.427 2.751 . . . . 0.0 118.427 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.54 -20.81 10.1 Favored Glycine 0 N--CA 1.477 1.411 0 C-N-CA 126.316 1.912 . . . . 0.0 113.163 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -75.56 136.74 40.53 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.934 1.293 . . . . 0.0 108.822 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -118.08 129.9 55.82 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.912 1.685 . . . . 0.0 108.516 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.67 138.94 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 123.805 0.842 . . . . 0.0 109.188 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.6 t -132.38 118.14 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 124.776 1.23 . . . . 0.0 108.993 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.5 p -122.03 134.88 54.8 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.594 0.758 . . . . 0.0 111.844 177.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -153.53 -171.66 3.98 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.079 -1.013 . . . . 0.0 113.192 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.66 158.19 44.13 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.703 1.201 . . . . 0.0 108.997 -178.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -112.29 141.05 46.47 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.184 1.394 . . . . 0.0 108.092 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.56 134.62 45.19 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.615 1.166 . . . . 0.0 111.174 -175.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.8 t -59.75 123.91 18.47 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.385 1.074 . . . . 0.0 110.641 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -63.12 -13.47 36.92 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.15 -1.594 . . . . 0.0 111.71 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -94.84 -68.72 0.79 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.463 1.105 . . . . 0.0 111.613 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.8 p -91.53 -6.55 52.3 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.298 73.1 m80 53.41 21.13 2.25 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.326 1.85 . . . . 0.0 114.974 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.95 147.06 52.19 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.111 1.364 . . . . 0.0 107.576 169.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.9 t -75.65 105.13 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.622 -0.674 . . . . 0.0 110.032 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.2 mt -61.29 -45.63 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 125.622 1.569 . . . . 0.0 111.124 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.66 167.8 20.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.566 1.146 . . . . 0.0 112.439 -175.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -115.5 140.72 48.9 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.861 1.664 . . . . 0.0 109.179 174.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.05 139.33 54.19 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.13 1.772 . . . . 0.0 112.37 -177.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -139.59 132.94 30.04 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.592 1.157 . . . . 0.0 108.677 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -132.0 125.96 32.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.58 135.81 49.87 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -129.87 127.47 40.27 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.091 0.956 . . . . 0.0 110.469 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -126.22 142.79 51.39 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.918 2.087 . . . . 0.0 113.733 -177.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.5 mt -114.48 121.47 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 171.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . 0.379 0.0 OUTLIER -119.87 121.28 38.71 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 174.475 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 53.87 -70.05 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 128.734 2.814 . . . . 0.0 116.804 176.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -137.39 5.51 2.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.128 1.771 . . . . 0.0 112.577 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -132.18 173.5 11.18 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.791 1.178 . . . . 0.0 109.543 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -125.12 143.43 50.93 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.681 1.592 . . . . 0.0 108.799 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -122.83 130.86 53.4 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 127.611 2.364 . . . . 0.0 109.932 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -121.74 130.66 53.59 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 125.127 1.371 . . . . 0.0 109.068 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.88 143.11 36.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 122.212 1.006 . . . . 0.0 109.494 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.8 ttp -138.11 145.32 41.5 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 125.696 1.598 . . . . 0.0 109.2 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 tp -151.9 105.36 3.1 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.152 1.781 . . . . 0.0 110.186 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.7 t -142.41 136.68 29.78 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 126.334 1.854 . . . . 0.0 109.941 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.75 -34.35 72.85 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.142 0.977 . . . . 0.0 111.954 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.5 tp -94.76 -62.42 1.32 Allowed 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.879 1.272 . . . . 0.0 111.341 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 79.9 m -66.01 -39.24 90.08 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.237 1.015 . . . . 0.0 113.543 -172.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.69 174.45 13.68 Favored Glycine 0 C--N 1.336 0.582 0 N-CA-C 118.063 1.985 . . . . 0.0 118.063 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.87 117.96 32.87 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.178 1.391 . . . . 0.0 110.232 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.75 157.24 44.53 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -150.12 137.79 19.95 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.359 1.064 . . . . 0.0 111.035 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -141.78 152.42 43.74 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.281 1.832 . . . . 0.0 111.939 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -135.41 134.87 40.13 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.894 -0.504 . . . . 0.0 111.112 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.3 mt -122.28 127.56 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.503 1.521 . . . . 0.0 110.814 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.3 p -83.73 134.11 34.76 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.5 -0.75 . . . . 0.0 109.725 174.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -133.84 -175.4 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 124.455 1.102 . . . . 0.0 113.208 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 69.7 mt -135.47 165.36 36.86 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 128.288 2.635 . . . . 0.0 109.145 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -59.25 -17.09 37.54 Favored 'Trans proline' 0 CA--C 1.546 1.082 0 C-N-CA 122.982 2.455 . . . . 0.0 114.29 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -76.97 -3.83 40.91 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 125.388 1.475 . . . . 0.0 112.944 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.8 t0 50.37 55.39 16.69 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 127.594 2.357 . . . . 0.0 114.897 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.08 -21.59 15.54 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 123.9 3.066 . . . . 0.0 115.7 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 45.54 39.57 4.93 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 126.824 2.05 . . . . 0.0 115.054 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 . . . . . 0 N--CA 1.475 0.819 0 C-N-CA 126.299 1.84 . . . . 0.0 113.168 -179.014 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.83 -33.77 1.03 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 126.853 2.168 . . . . 0.0 111.871 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.3 -18.44 65.35 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 118.058 0.929 . . . . 0.0 110.064 169.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.53 -27.5 68.65 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.852 1.661 . . . . 0.0 112.91 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 m -111.12 138.92 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.701 1.2 . . . . 0.0 111.754 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.8 -38.01 89.55 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.854 -1.154 . . . . 0.0 111.195 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -137.19 143.84 42.56 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.56 1.944 . . . . 0.0 109.396 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.44 124.77 29.72 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.954 0.902 . . . . 0.0 109.365 175.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 46.14 59.89 14.86 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 124.915 1.286 . . . . 0.0 113.213 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -63.17 145.37 93.48 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.167 2.578 . . . . 0.0 111.639 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -77.73 143.73 37.81 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.587 -1.32 . . . . 0.0 109.604 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.02 31.06 6.83 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -175.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.0 36.82 68.5 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 123.438 0.542 . . . . 0.0 113.081 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.95 6.83 0.64 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.87 2.868 . . . . 0.0 114.737 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 97.2 m -70.64 117.71 12.5 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.32 -1.487 . . . . 0.0 111.617 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.5 m -121.23 109.35 14.85 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.634 1.174 . . . . 0.0 110.303 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 mp -118.1 145.08 45.12 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.259 1.824 . . . . 0.0 113.478 -175.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.2 -7.8 41.14 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.16 1.784 . . . . 0.0 113.026 176.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -145.26 156.31 43.75 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.11 -168.14 12.75 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 126.057 1.789 . . . . 0.0 114.853 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.1 m -152.24 119.31 5.85 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.075 2.15 . . . . 0.0 108.105 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -74.66 77.3 2.03 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 115.883 1.808 . . . . 0.0 115.883 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.5 mt -51.5 -29.53 16.93 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.51 -19.66 62.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.827 0.851 . . . . 0.0 113.216 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -101.9 -33.91 9.59 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.213 1.005 . . . . 0.0 109.842 174.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -65.84 109.47 2.49 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.787 -0.571 . . . . 0.0 110.075 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.2 p -90.62 7.31 39.92 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.148 0.979 . . . . 0.0 112.198 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.0 151.46 27.99 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.51 1.529 . . . . 0.0 109.588 -175.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.78 170.42 0.12 Allowed 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.8 1.64 . . . . 0.0 114.264 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.85 -11.62 5.42 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.339 171.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.5 t -73.63 -35.46 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 119.793 1.179 . . . . 0.0 109.044 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.3 p -131.44 -17.37 2.96 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 116.184 1.92 . . . . 0.0 116.184 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.32 15.98 0.54 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.532 1.933 . . . . 0.0 116.158 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -82.44 148.23 28.3 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 119.723 -1.861 . . . . 0.0 113.035 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -123.21 160.94 25.51 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.691 1.597 . . . . 0.0 110.096 175.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.04 26.6 3.87 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.34 1.856 . . . . 0.0 114.911 -175.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.32 99.34 6.37 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 128.895 2.878 . . . . 0.0 111.377 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.1 150.1 18.26 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.79 167.26 16.77 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 131.263 3.825 . . . . 0.0 109.691 178.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.0 mt -127.71 134.07 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 126.219 1.808 . . . . 0.0 107.092 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.13 173.13 12.79 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.76 0.824 . . . . 0.0 111.663 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.266 0.0 OUTLIER 56.28 13.04 1.13 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 127.457 2.303 . . . . 0.0 115.248 179.267 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -53.63 113.08 1.05 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 127.86 2.464 . . . . 0.0 114.199 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.1 m -107.53 156.18 19.28 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.508 1.523 . . . . 0.0 112.767 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tt -138.49 137.73 37.4 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.105 1.762 . . . . 0.0 109.108 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -132.01 146.61 52.18 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 126.332 1.853 . . . . 0.0 110.659 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -137.58 116.27 12.17 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 175.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -118.92 121.4 39.88 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.047 1.339 . . . . 0.0 113.68 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.6 t70 46.75 20.43 0.11 Allowed 'General case' 0 CA--C 1.558 1.287 0 N-CA-C 118.581 2.808 . . . . 0.0 118.581 170.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.12 -20.7 9.68 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 126.721 2.105 . . . . 0.0 113.36 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -77.92 138.56 38.95 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.514 1.526 . . . . 0.0 109.535 175.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -117.94 129.83 55.85 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.032 1.733 . . . . 0.0 108.587 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.66 139.51 50.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 124.078 0.951 . . . . 0.0 109.376 -177.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.7 t -132.42 117.98 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.695 1.198 . . . . 0.0 108.571 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.2 p -122.02 134.19 54.8 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.835 0.854 . . . . 0.0 111.876 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -155.73 -170.71 3.51 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.255 -0.903 . . . . 0.0 113.211 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.68 158.18 44.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.882 1.273 . . . . 0.0 108.933 -178.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -112.06 140.33 46.83 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.232 1.413 . . . . 0.0 108.003 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mp -132.18 133.92 44.78 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.697 1.199 . . . . 0.0 111.003 -175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.03 123.19 15.76 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.497 1.119 . . . . 0.0 110.621 177.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -62.82 -13.48 34.09 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 120.052 -1.655 . . . . 0.0 111.711 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -94.71 -67.92 0.83 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.419 1.087 . . . . 0.0 111.657 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.6 p -92.24 -6.44 50.47 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 72.7 m80 53.27 21.57 2.34 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 126.324 1.85 . . . . 0.0 115.062 -177.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.75 146.81 51.2 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.17 1.388 . . . . 0.0 107.488 169.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.8 t -75.44 105.59 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 O-C-N 121.575 -0.703 . . . . 0.0 109.981 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.9 mt -62.04 -45.58 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 125.45 1.5 . . . . 0.0 111.059 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.53 167.64 21.14 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.5 1.12 . . . . 0.0 112.626 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -115.4 140.76 48.85 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.946 1.698 . . . . 0.0 109.022 174.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -124.29 138.96 54.33 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.909 1.684 . . . . 0.0 112.477 -177.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -139.37 132.22 29.24 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.666 1.187 . . . . 0.0 108.713 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -131.64 126.21 34.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 173.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.62 135.79 49.8 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -129.09 125.13 36.53 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.038 0.935 . . . . 0.0 110.091 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -126.11 142.9 51.33 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.818 2.047 . . . . 0.0 113.763 -175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.71 122.15 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 121.135 -0.978 . . . . 0.0 110.385 174.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.75 24.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.037 1.335 . . . . 0.0 113.726 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.3 t0 52.27 -70.92 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 128.34 2.656 . . . . 0.0 116.725 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -136.74 8.79 3.06 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.822 2.049 . . . . 0.0 112.037 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.92 170.96 13.75 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.863 -1.148 . . . . 0.0 108.956 -175.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -125.39 143.49 50.95 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.155 1.382 . . . . 0.0 109.236 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -121.27 129.58 53.22 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 126.776 2.03 . . . . 0.0 109.113 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -120.64 129.72 53.83 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.951 1.301 . . . . 0.0 108.895 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.94 142.07 36.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 122.216 1.008 . . . . 0.0 109.361 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.8 ttp -138.54 145.04 40.21 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 125.659 1.584 . . . . 0.0 109.305 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.4 tp -151.43 105.67 3.2 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.123 1.769 . . . . 0.0 110.196 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.7 t -142.66 136.97 29.61 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 126.163 1.785 . . . . 0.0 110.217 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.0 tp -59.15 -34.17 71.76 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.198 0.999 . . . . 0.0 111.855 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.7 tp -96.52 -63.13 1.17 Allowed 'General case' 0 C--O 1.232 0.166 0 C-N-CA 125.061 1.344 . . . . 0.0 111.231 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.1 m -64.69 -37.59 88.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -173.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.55 174.81 13.84 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 117.761 1.865 . . . . 0.0 117.761 172.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -112.86 117.6 32.58 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.522 1.529 . . . . 0.0 109.821 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.76 157.2 44.55 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.344 1.058 . . . . 0.0 113.828 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -150.98 137.77 18.94 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.309 1.044 . . . . 0.0 111.158 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -141.82 152.47 43.72 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.41 1.884 . . . . 0.0 111.856 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.03 133.65 39.6 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.778 -0.576 . . . . 0.0 110.735 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.7 mt -122.26 129.72 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.422 1.489 . . . . 0.0 111.313 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.1 p -84.23 133.38 34.58 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.16 -0.963 . . . . 0.0 109.362 173.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 pp -135.63 -173.4 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.678 1.191 . . . . 0.0 114.1 -173.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 77.7 mt -128.7 161.69 55.91 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 128.563 2.745 . . . . 0.0 108.873 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -58.4 -14.59 21.01 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.399 2.733 . . . . 0.0 115.257 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -75.31 -7.1 53.04 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.023 1.329 . . . . 0.0 113.137 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 47.7 t0 48.41 63.12 10.88 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 127.336 2.254 . . . . 0.0 114.256 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -73.9 -13.23 24.09 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 123.819 3.013 . . . . 0.0 115.813 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 53.19 20.63 1.9 Allowed 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 126.317 1.847 . . . . 0.0 114.697 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 . . . . . 0 N--CA 1.476 0.849 0 C-N-CA 127.362 2.265 . . . . 0.0 113.736 -176.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.64 -33.73 1.0 Allowed Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.986 2.232 . . . . 0.0 111.726 -177.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -65.7 -19.19 65.81 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 118.047 0.924 . . . . 0.0 109.964 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.5 m -61.96 -25.87 67.86 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.132 1.773 . . . . 0.0 113.157 175.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.0 m -112.15 138.48 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.506 1.123 . . . . 0.0 111.526 -174.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -63.94 -38.77 92.32 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.872 -1.142 . . . . 0.0 110.779 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -137.26 142.89 41.99 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.577 1.551 . . . . 0.0 109.43 176.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -80.92 124.31 29.02 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.087 0.955 . . . . 0.0 109.314 176.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 46.86 59.98 15.52 Favored Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 124.698 1.199 . . . . 0.0 113.117 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -63.09 146.75 94.61 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.37 2.713 . . . . 0.0 111.429 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -77.92 145.46 36.12 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.523 -1.361 . . . . 0.0 109.393 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -119.16 28.63 8.12 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.32 36.95 71.24 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.345 0.498 . . . . 0.0 112.872 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 82.96 6.34 0.83 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 128.915 2.886 . . . . 0.0 114.731 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.4 m -70.71 118.66 13.78 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.251 -1.531 . . . . 0.0 111.536 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.3 m -122.8 109.84 14.71 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.68 1.192 . . . . 0.0 110.31 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.4 mp -120.84 148.79 43.54 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.09 1.756 . . . . 0.0 113.966 -175.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.11 0.85 38.54 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.321 2.248 . . . . 0.0 112.837 176.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -141.26 159.5 42.08 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.227 1.411 . . . . 0.0 113.249 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.7 -175.32 35.5 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.265 1.412 . . . . 0.0 115.929 175.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 m -146.13 123.14 11.4 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 127.798 2.439 . . . . 0.0 108.533 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -75.29 76.72 2.4 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -174.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.3 mt -51.78 -29.54 19.37 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.38 -18.89 63.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.315 1.046 . . . . 0.0 113.182 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -102.7 -33.1 9.54 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.172 0.989 . . . . 0.0 110.376 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -66.13 109.97 2.8 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 175.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.7 p -88.65 2.06 53.9 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.225 1.01 . . . . 0.0 112.11 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.31 150.61 26.86 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.94 1.733 . . . . 0.0 109.448 -175.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.1 t -53.1 168.87 0.12 Allowed 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.562 1.545 . . . . 0.0 114.301 -177.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.54 -11.43 6.2 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.24 171.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.9 t -74.02 -35.41 41.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 119.681 1.128 . . . . 0.0 109.056 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.0 p -131.59 -16.7 2.98 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 82.2 14.6 0.48 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -83.34 145.37 29.09 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.025 -1.672 . . . . 0.0 113.34 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -119.33 160.76 21.64 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.684 1.594 . . . . 0.0 110.016 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.06 26.7 3.96 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 126.337 1.855 . . . . 0.0 115.045 -176.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.29 98.84 6.11 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 128.704 2.802 . . . . 0.0 111.386 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.93 150.55 18.94 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.46 165.37 19.96 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 131.265 3.826 . . . . 0.0 109.266 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.1 mt -127.57 134.18 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 125.873 1.669 . . . . 0.0 106.866 176.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.27 172.77 13.33 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.483 0.713 . . . . 0.0 111.78 178.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.278 0.0 OUTLIER 57.78 15.82 3.2 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.262 2.225 . . . . 0.0 114.897 178.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -54.33 112.86 1.07 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.987 2.115 . . . . 0.0 113.476 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.2 m -107.47 156.12 19.31 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.296 1.438 . . . . 0.0 112.297 176.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -138.72 137.76 37.08 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.68 1.592 . . . . 0.0 109.697 177.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -131.88 146.69 52.27 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 126.379 1.872 . . . . 0.0 111.125 -178.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -138.9 116.36 11.26 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.898 0.38 . . . . 0.0 111.09 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -118.91 121.42 39.93 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.286 1.434 . . . . 0.0 113.198 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 45.1 20.73 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 118.415 2.746 . . . . 0.0 118.415 172.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.07 -20.96 9.63 Favored Glycine 0 N--CA 1.477 1.424 0 C-N-CA 126.273 1.892 . . . . 0.0 113.304 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -74.73 136.99 41.76 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.104 1.361 . . . . 0.0 108.92 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -117.94 129.85 55.86 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.584 1.554 . . . . 0.0 108.705 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.72 139.58 49.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 123.836 0.855 . . . . 0.0 109.47 -178.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.2 t -132.35 118.13 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.757 1.223 . . . . 0.0 108.797 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.5 p -121.91 134.75 54.86 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.523 0.729 . . . . 0.0 112.015 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -154.45 -170.95 3.69 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -141.64 158.31 43.99 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.897 1.279 . . . . 0.0 109.248 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -111.7 141.15 45.67 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.222 1.409 . . . . 0.0 108.206 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.68 134.37 44.73 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.763 1.225 . . . . 0.0 110.883 -176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.3 t -59.42 123.48 16.94 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.486 1.114 . . . . 0.0 110.745 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -63.05 -12.84 29.37 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 120.107 -1.621 . . . . 0.0 111.737 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -95.86 -67.7 0.84 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.549 1.139 . . . . 0.0 111.655 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.2 p -92.84 -5.98 49.81 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.294 70.8 m80 53.49 20.29 2.0 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.374 1.87 . . . . 0.0 115.156 -177.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.4 147.06 52.61 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.844 1.257 . . . . 0.0 107.719 169.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.7 t -76.46 102.25 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 O-C-N 121.558 -0.714 . . . . 0.0 110.325 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.9 mt -58.66 -47.49 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.555 1.542 . . . . 0.0 111.478 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -161.7 168.31 23.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.409 1.084 . . . . 0.0 112.511 -175.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.6 141.26 48.42 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.147 1.779 . . . . 0.0 108.747 176.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -125.77 138.64 53.86 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.678 1.591 . . . . 0.0 112.781 -176.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -140.19 131.43 26.6 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 124.452 1.101 . . . . 0.0 108.977 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -130.51 126.7 37.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 173.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.01 135.77 49.41 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -128.63 127.2 41.76 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.217 1.007 . . . . 0.0 110.116 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.98 142.9 51.11 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.511 1.925 . . . . 0.0 113.562 -176.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.9 mt -109.73 121.97 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 O-C-N 121.048 -1.032 . . . . 0.0 109.862 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.46 115.8 24.8 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.721 1.209 . . . . 0.0 113.75 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 51.05 -69.0 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 128.534 2.733 . . . . 0.0 117.365 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -136.23 6.1 3.05 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.975 2.11 . . . . 0.0 112.059 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.59 170.47 14.69 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.991 -1.068 . . . . 0.0 109.569 -175.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -122.71 143.53 49.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.804 1.242 . . . . 0.0 109.322 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -121.61 130.78 53.73 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 126.844 2.058 . . . . 0.0 109.555 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -122.08 129.97 52.85 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 124.955 1.302 . . . . 0.0 109.168 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.51 142.39 37.28 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.925 0.869 . . . . 0.0 109.099 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.1 ttp -138.0 145.69 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.57 1.548 . . . . 0.0 109.302 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.52 105.21 3.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.291 1.836 . . . . 0.0 110.255 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 37.6 t -142.11 136.87 30.52 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.153 1.781 . . . . 0.0 110.204 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.1 tp -59.26 -34.11 71.85 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.164 0.985 . . . . 0.0 111.947 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.8 tp -96.64 -63.16 1.17 Allowed 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.928 1.291 . . . . 0.0 111.117 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.1 m -64.6 -37.4 87.43 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.006 0.922 . . . . 0.0 113.32 -173.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.29 174.61 13.8 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 117.866 1.906 . . . . 0.0 117.866 172.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -113.42 117.13 30.87 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.331 1.452 . . . . 0.0 110.255 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.75 157.28 44.5 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -149.81 138.3 20.7 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.349 1.06 . . . . 0.0 110.924 175.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -141.89 152.35 43.5 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 126.205 1.802 . . . . 0.0 111.802 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.04 134.14 38.16 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.72 -0.613 . . . . 0.0 110.756 174.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.4 mt -122.21 125.85 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.121 1.369 . . . . 0.0 110.727 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.5 p -82.05 134.13 35.33 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.401 -0.812 . . . . 0.0 109.461 174.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.95 -178.4 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.567 1.147 . . . . 0.0 113.227 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 73.4 mt -135.91 163.07 53.04 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 127.315 2.246 . . . . 0.0 110.019 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -60.59 -17.16 47.17 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 123.011 2.474 . . . . 0.0 113.899 178.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -74.5 -3.5 31.17 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.451 1.5 . . . . 0.0 112.837 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.5 t0 52.39 54.21 13.44 Favored Pre-proline 0 CA--C 1.557 1.238 0 C-N-CA 127.336 2.254 . . . . 0.0 114.804 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -75.91 -23.85 11.96 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 123.728 2.952 . . . . 0.0 115.24 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 47.53 34.0 3.23 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 126.736 2.014 . . . . 0.0 114.946 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 . . . . . 0 N--CA 1.475 0.817 0 C-N-CA 126.41 1.884 . . . . 0.0 113.174 -177.895 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.8 -33.88 1.03 Allowed Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.941 2.21 . . . . 0.0 111.776 -177.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.38 -18.28 65.27 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.03 0.915 . . . . 0.0 109.966 170.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.4 m -61.8 -27.29 68.65 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.851 1.661 . . . . 0.0 112.865 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.5 m -110.59 139.29 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.52 1.128 . . . . 0.0 111.801 -174.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -64.18 -41.34 97.16 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.948 1.299 . . . . 0.0 110.67 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -134.5 141.99 46.91 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 127.013 2.125 . . . . 0.0 109.35 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.45 124.62 29.59 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.831 0.853 . . . . 0.0 109.318 175.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 46.36 59.81 15.19 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 124.892 1.277 . . . . 0.0 113.182 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -63.25 145.56 93.26 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.254 2.636 . . . . 0.0 111.579 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -78.14 144.11 36.7 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.437 -1.415 . . . . 0.0 109.492 175.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -118.99 31.2 6.76 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.88 37.23 69.15 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.5 0.572 . . . . 0.0 112.994 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.66 7.19 0.67 Allowed 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 128.806 2.842 . . . . 0.0 114.714 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.0 m -70.57 118.1 12.94 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.292 -1.505 . . . . 0.0 111.435 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.9 m -122.52 109.45 14.35 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.71 1.204 . . . . 0.0 110.28 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mp -120.25 144.49 47.74 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.328 1.851 . . . . 0.0 113.52 -175.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -93.11 -4.86 51.54 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.711 1.604 . . . . 0.0 113.293 176.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -145.3 154.07 41.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.317 1.047 . . . . 0.0 113.176 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.89 -169.77 14.32 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.458 1.504 . . . . 0.0 115.138 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.3 m -156.55 114.44 3.26 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 127.645 2.378 . . . . 0.0 107.643 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -73.79 78.27 1.58 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 -173.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.7 mt -51.28 -30.0 16.52 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.0 mt -70.69 -19.09 62.8 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.928 0.891 . . . . 0.0 113.306 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -102.95 -33.62 9.24 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.524 1.129 . . . . 0.0 109.537 175.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -65.89 109.61 2.57 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.714 0.688 . . . . 0.0 109.981 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.9 p -90.61 6.82 42.19 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.235 1.014 . . . . 0.0 112.147 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.24 151.2 27.72 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.55 1.548 . . . . 0.0 109.519 -174.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.52 170.47 0.1 Allowed 'General case' 0 C--O 1.239 0.521 0 C-N-CA 125.924 1.689 . . . . 0.0 114.216 -177.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.96 -11.86 5.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.374 171.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.4 t -73.4 -35.42 45.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 119.801 1.182 . . . . 0.0 109.079 171.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 p -131.31 -17.69 2.97 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 116.129 1.899 . . . . 0.0 116.129 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 82.12 14.66 0.49 Allowed 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -81.81 147.2 29.5 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.106 -1.621 . . . . 0.0 113.166 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -121.86 160.73 24.12 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.635 1.574 . . . . 0.0 109.999 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.269 4.0 p30 52.34 26.56 4.16 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.229 1.811 . . . . 0.0 114.875 -175.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.42 99.32 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 128.914 2.886 . . . . 0.0 111.246 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.11 150.05 18.19 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 176.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.44 167.09 16.73 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 131.206 3.803 . . . . 0.0 109.157 178.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.4 mt -128.76 135.66 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 125.939 1.696 . . . . 0.0 106.983 176.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.5 172.88 13.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.532 0.733 . . . . 0.0 111.754 178.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER 57.32 14.21 2.05 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.35 2.26 . . . . 0.0 115.575 178.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 tttp -50.38 110.4 0.4 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.912 2.085 . . . . 0.0 113.187 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.8 m -107.38 155.95 19.45 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.758 1.623 . . . . 0.0 112.022 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.46 137.78 34.17 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.691 1.596 . . . . 0.0 110.089 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -132.09 146.66 52.2 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.506 1.922 . . . . 0.0 111.559 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -141.0 116.34 10.05 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -118.81 121.53 40.26 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.494 1.518 . . . . 0.0 113.425 173.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 45.77 20.52 0.07 Allowed 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 118.509 2.781 . . . . 0.0 118.509 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.44 -20.69 9.48 Favored Glycine 0 N--CA 1.476 1.353 0 C-N-CA 125.996 1.76 . . . . 0.0 112.984 -177.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -73.95 135.38 43.21 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.586 1.154 . . . . 0.0 108.584 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -118.05 129.84 55.8 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.284 1.434 . . . . 0.0 108.543 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -122.82 139.52 49.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 123.697 0.799 . . . . 0.0 109.282 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.0 t -132.52 118.06 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 124.589 1.156 . . . . 0.0 108.806 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.3 p -122.06 133.12 54.79 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.738 0.815 . . . . 0.0 112.1 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -152.93 -171.13 3.84 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.287 -0.883 . . . . 0.0 113.165 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.7 158.14 44.19 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.844 1.257 . . . . 0.0 109.145 -177.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -112.27 140.71 46.75 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.276 1.43 . . . . 0.0 108.148 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.58 134.19 44.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.703 1.201 . . . . 0.0 111.047 -175.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.57 123.25 16.26 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.485 1.114 . . . . 0.0 110.717 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -62.61 -13.53 32.58 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.098 -1.626 . . . . 0.0 111.778 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -94.85 -67.97 0.83 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.507 1.123 . . . . 0.0 111.669 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.51 -6.14 50.36 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 72.9 m80 53.16 20.89 1.96 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.335 1.854 . . . . 0.0 115.115 -177.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.95 146.78 52.47 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.097 1.359 . . . . 0.0 107.583 169.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.6 t -75.59 105.33 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 O-C-N 121.526 -0.734 . . . . 0.0 109.879 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.0 mt -61.54 -45.48 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.444 1.498 . . . . 0.0 111.145 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.84 167.39 20.84 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.596 1.158 . . . . 0.0 112.478 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -114.97 141.11 48.43 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.794 1.638 . . . . 0.0 109.061 174.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.59 138.98 54.45 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.127 1.771 . . . . 0.0 112.428 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -139.13 132.64 30.32 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.7 1.2 . . . . 0.0 108.787 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -131.94 125.87 32.67 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.02 135.77 50.33 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -129.36 128.75 43.71 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.047 0.939 . . . . 0.0 110.294 -178.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -129.73 142.88 50.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.236 1.814 . . . . 0.0 113.702 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mt -109.84 121.93 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 O-C-N 120.954 -1.091 . . . . 0.0 109.662 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.7 24.62 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.899 1.28 . . . . 0.0 114.169 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.5 t0 51.53 -68.78 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 128.459 2.703 . . . . 0.0 117.409 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -135.47 6.59 3.27 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.881 2.072 . . . . 0.0 112.084 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -132.7 170.84 14.65 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 120.71 -1.244 . . . . 0.0 109.877 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -121.82 143.45 49.4 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 125.417 1.487 . . . . 0.0 109.355 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -121.72 129.28 52.61 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 126.824 2.05 . . . . 0.0 109.46 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -121.59 130.15 53.32 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 125.014 1.326 . . . . 0.0 109.302 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.82 142.17 36.66 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 122.097 0.951 . . . . 0.0 109.484 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 ttp -138.37 145.62 41.3 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 125.758 1.623 . . . . 0.0 109.495 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 tp -151.89 105.55 3.12 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.133 1.773 . . . . 0.0 110.293 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.9 t -142.3 136.9 30.2 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.273 1.829 . . . . 0.0 110.012 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.52 -34.12 72.23 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.196 0.998 . . . . 0.0 111.851 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 tp -96.33 -63.19 1.17 Allowed 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.973 1.309 . . . . 0.0 111.248 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 79.6 m -64.27 -37.82 88.85 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.836 0.854 . . . . 0.0 113.26 -173.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.25 175.16 13.97 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 117.65 1.82 . . . . 0.0 117.65 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.38 118.31 34.2 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.238 1.415 . . . . 0.0 110.215 174.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.76 157.19 44.56 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -150.24 137.79 19.81 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.334 1.054 . . . . 0.0 110.939 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -141.81 152.4 43.68 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.164 1.785 . . . . 0.0 111.706 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.47 132.66 37.65 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.844 -0.535 . . . . 0.0 110.464 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.3 mt -122.19 128.16 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.398 1.479 . . . . 0.0 111.26 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.3 p -83.2 136.27 34.48 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.185 -0.947 . . . . 0.0 110.308 174.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -134.37 175.86 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.238 1.415 . . . . 0.0 112.768 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 67.6 mt -140.7 157.91 66.77 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 126.078 1.751 . . . . 0.0 110.841 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -64.82 -16.22 54.26 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 123.243 2.629 . . . . 0.0 113.313 177.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -75.03 1.06 13.94 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 126.051 1.741 . . . . 0.0 113.301 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.8 t70 55.69 68.76 2.22 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 126.8 2.04 . . . . 0.0 113.799 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.12 -11.73 27.36 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.401 2.734 . . . . 0.0 114.373 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 89.0 mtm-85 49.84 39.46 18.27 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.579 1.952 . . . . 0.0 113.219 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 126.801 2.041 . . . . 0.0 112.665 -179.615 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.94 -33.99 1.05 Allowed Glycine 0 CA--C 1.53 1.02 0 C-N-CA 126.947 2.213 . . . . 0.0 111.795 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.37 -17.15 64.6 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 117.901 0.85 . . . . 0.0 110.049 169.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.4 m -63.14 -26.28 68.74 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.794 1.638 . . . . 0.0 112.764 175.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m -112.13 140.05 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.146 0.978 . . . . 0.0 111.964 -174.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.71 -38.74 92.02 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.921 -1.112 . . . . 0.0 111.109 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -136.56 143.59 43.75 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.551 1.94 . . . . 0.0 109.48 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -81.35 125.08 29.95 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.102 0.961 . . . . 0.0 109.26 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 45.8 59.68 14.72 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 124.891 1.276 . . . . 0.0 113.199 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -63.19 145.19 93.27 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.176 2.584 . . . . 0.0 111.297 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -78.22 143.9 36.73 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.291 -1.506 . . . . 0.0 109.64 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -116.54 31.19 6.88 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.22 12.51 12.33 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.034 1.778 . . . . 0.0 116.653 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 121.25 -2.9 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.129 1 C-N-CA 132.602 4.361 . . . . 0.0 115.589 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.6 m -64.4 116.36 6.01 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 120.936 -1.103 . . . . 0.0 112.813 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.6 m -122.06 109.68 14.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.82 1.248 . . . . 0.0 110.194 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -119.64 145.68 46.23 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.229 1.811 . . . . 0.0 113.591 -175.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.52 -5.64 45.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.417 1.887 . . . . 0.0 113.243 176.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -148.37 152.15 36.53 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.488 1.115 . . . . 0.0 112.56 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.98 -176.18 16.21 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.462 1.506 . . . . 0.0 114.447 177.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.5 m -150.35 117.72 6.06 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.656 2.382 . . . . 0.0 108.05 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.11 77.32 2.27 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -174.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.6 mt -52.77 -25.26 10.72 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.95 1.834 . . . . 0.0 115.95 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.8 mt -74.59 -17.4 60.72 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.967 0.907 . . . . 0.0 112.93 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -104.44 -32.37 9.05 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.606 1.162 . . . . 0.0 110.386 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -66.14 104.37 1.15 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.513 0.597 . . . . 0.0 111.291 177.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.3 p -82.05 -2.29 51.3 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 121.059 -1.026 . . . . 0.0 112.911 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.22 149.34 22.84 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 126.077 1.799 . . . . 0.0 109.157 -175.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.7 t -52.83 167.22 0.16 Allowed 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.449 1.5 . . . . 0.0 113.99 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.17 -11.51 6.41 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 124.287 1.035 . . . . 0.0 112.438 172.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.6 t -72.85 -34.85 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 119.765 1.166 . . . . 0.0 108.946 171.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 p -131.73 -16.0 3.01 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 83.07 18.9 0.24 Allowed 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -91.59 138.99 31.12 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 119.937 -1.727 . . . . 0.0 114.098 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -112.76 161.39 16.95 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 126.191 1.796 . . . . 0.0 109.575 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.263 4.1 p30 51.55 27.17 3.71 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.429 1.892 . . . . 0.0 114.984 -175.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -123.72 98.74 5.96 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 128.713 2.805 . . . . 0.0 111.25 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.16 150.11 16.37 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 176.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.06 165.12 20.1 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 131.018 3.727 . . . . 0.0 108.981 178.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.5 mt -126.93 134.44 66.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 175.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -149.0 176.7 10.22 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.524 0.73 . . . . 0.0 111.257 178.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.0 t30 58.24 18.38 5.35 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.829 1.251 . . . . 0.0 113.668 173.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -58.25 113.99 2.2 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 127.017 2.127 . . . . 0.0 112.698 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.3 m -107.52 155.97 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 125.871 1.668 . . . . 0.0 111.754 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -139.71 137.82 35.47 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.59 1.556 . . . . 0.0 109.69 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -132.05 146.64 52.19 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 126.269 1.828 . . . . 0.0 111.491 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -139.18 116.43 11.13 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 117.923 0.328 . . . . 0.0 111.622 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -118.94 121.48 40.04 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.117 1.367 . . . . 0.0 113.233 173.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 45.07 20.69 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 118.545 2.794 . . . . 0.0 118.545 172.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.45 -21.2 9.3 Favored Glycine 0 N--CA 1.477 1.379 0 C-N-CA 126.159 1.837 . . . . 0.0 113.19 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -73.89 136.91 43.4 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.975 1.31 . . . . 0.0 108.923 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -118.04 129.88 55.83 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 125.544 1.538 . . . . 0.0 108.684 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.6 mp -123.05 138.44 53.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 124.058 0.943 . . . . 0.0 109.423 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.5 t -132.4 118.2 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 124.683 1.193 . . . . 0.0 108.9 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.2 p -122.02 134.6 54.8 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.812 0.845 . . . . 0.0 111.704 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -153.43 -168.72 3.09 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.989 -1.069 . . . . 0.0 113.161 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -141.73 158.33 43.94 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.583 1.153 . . . . 0.0 110.532 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -109.26 138.6 45.37 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 172.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mp -132.85 131.77 41.38 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.722 1.209 . . . . 0.0 110.068 -175.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -57.84 124.06 17.9 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.57 1.148 . . . . 0.0 111.379 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -63.43 -12.63 32.66 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.245 -1.534 . . . . 0.0 111.708 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -97.19 -61.71 1.36 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.379 1.072 . . . . 0.0 112.481 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.0 p -99.99 -4.58 29.76 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.298 57.8 m80 52.49 19.43 1.18 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.527 1.931 . . . . 0.0 115.113 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.14 147.19 53.42 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 169.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.9 t -76.32 101.11 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 O-C-N 121.597 -0.689 . . . . 0.0 110.281 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.0 mt -57.45 -46.53 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.479 1.512 . . . . 0.0 111.337 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.69 165.1 26.09 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.483 1.113 . . . . 0.0 111.859 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -112.84 143.06 44.75 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.416 1.486 . . . . 0.0 108.341 174.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -125.47 138.42 54.0 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.313 1.445 . . . . 0.0 112.033 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -139.24 132.43 29.78 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.579 1.152 . . . . 0.0 108.738 174.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -131.55 126.12 34.07 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.59 135.84 49.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -129.13 125.91 38.15 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.151 0.98 . . . . 0.0 110.036 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.0 142.88 51.44 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.616 1.966 . . . . 0.0 113.725 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -110.47 122.73 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 O-C-N 121.09 -1.006 . . . . 0.0 110.182 174.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.8 24.81 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.915 1.286 . . . . 0.0 113.093 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 50.73 -77.1 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 127.865 2.466 . . . . 0.0 116.064 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -131.06 10.54 4.97 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.48 1.912 . . . . 0.0 112.119 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -131.07 170.27 14.73 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.665 -1.272 . . . . 0.0 109.141 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -124.89 143.5 50.82 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 125.239 1.416 . . . . 0.0 109.347 177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -121.42 129.3 52.92 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 126.629 1.972 . . . . 0.0 109.37 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -121.01 129.92 53.58 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 124.974 1.309 . . . . 0.0 108.997 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.9 142.51 36.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.14 0.972 . . . . 0.0 109.33 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 ttp -138.0 145.02 41.39 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 125.735 1.614 . . . . 0.0 109.157 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.4 tp -151.18 104.96 3.17 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.243 1.817 . . . . 0.0 110.08 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 37.0 t -141.87 136.85 30.93 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 126.27 1.828 . . . . 0.0 109.964 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.0 tp -59.87 -33.84 72.35 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.166 0.986 . . . . 0.0 111.925 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -96.4 -62.83 1.21 Allowed 'General case' 0 C--O 1.231 0.116 0 C-N-CA 125.067 1.347 . . . . 0.0 111.299 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 84.9 m -64.63 -38.91 92.63 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.873 0.869 . . . . 0.0 113.122 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.98 174.93 13.84 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 117.671 1.828 . . . . 0.0 117.671 173.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -113.2 117.16 31.14 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.118 1.367 . . . . 0.0 109.827 174.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.67 157.28 44.52 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -150.05 138.78 20.82 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.222 1.009 . . . . 0.0 111.208 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -141.76 152.41 43.76 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.255 1.822 . . . . 0.0 111.77 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.58 134.19 39.09 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.818 -0.551 . . . . 0.0 110.517 174.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.7 mt -122.14 127.66 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.235 1.414 . . . . 0.0 111.088 -177.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.5 p -83.34 131.63 35.05 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.386 -0.821 . . . . 0.0 108.925 173.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.74 179.95 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -173.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.0 mp -121.82 163.46 31.04 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 128.079 2.552 . . . . 0.0 108.396 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -59.02 -15.7 29.01 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.18 2.587 . . . . 0.0 114.729 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -76.85 -2.45 33.49 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.466 1.506 . . . . 0.0 113.31 175.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 39.9 t0 50.47 54.94 16.28 Favored Pre-proline 0 CA--C 1.558 1.27 0 C-N-CA 127.225 2.21 . . . . 0.0 114.897 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -74.64 -20.24 17.98 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.899 3.066 . . . . 0.0 115.476 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 46.96 36.53 4.11 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 126.917 2.087 . . . . 0.0 115.231 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 . . . . . 0 N--CA 1.474 0.75 0 C-N-CA 126.559 1.943 . . . . 0.0 113.259 -179.274 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.75 -33.81 1.02 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 126.933 2.206 . . . . 0.0 111.793 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -65.74 -19.12 65.78 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 117.957 0.879 . . . . 0.0 109.88 169.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.9 m -62.1 -25.61 67.82 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.199 1.8 . . . . 0.0 113.159 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.3 m -112.04 138.63 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.406 1.082 . . . . 0.0 111.716 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -64.06 -38.65 91.86 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.484 1.114 . . . . 0.0 110.953 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -137.1 143.91 42.79 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.55 1.94 . . . . 0.0 109.459 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -81.28 124.88 29.7 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.185 0.994 . . . . 0.0 109.305 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 46.12 59.91 14.82 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 124.857 1.263 . . . . 0.0 113.172 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -62.72 146.59 95.21 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.196 2.598 . . . . 0.0 111.617 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -76.38 145.25 39.53 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.722 -1.236 . . . . 0.0 109.181 175.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -119.99 28.73 7.92 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -175.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.85 37.11 68.4 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.323 0.487 . . . . 0.0 113.026 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 81.42 7.91 1.09 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 128.762 2.825 . . . . 0.0 114.851 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.2 m -71.27 117.61 13.01 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.24 -1.538 . . . . 0.0 111.412 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.8 m -121.65 109.53 14.87 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.519 1.128 . . . . 0.0 110.426 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 mp -120.95 148.91 43.43 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.894 1.678 . . . . 0.0 114.071 -174.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.41 2.28 39.28 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.598 2.359 . . . . 0.0 112.789 176.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -141.51 159.07 42.97 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.373 1.469 . . . . 0.0 113.109 -176.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.01 -173.93 35.18 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.104 1.335 . . . . 0.0 116.36 174.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 m -145.49 133.41 21.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 128.103 2.561 . . . . 0.0 108.521 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -86.27 74.25 10.04 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.1 -25.56 13.42 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.1 mt -71.21 -19.97 62.32 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.262 1.025 . . . . 0.0 113.163 175.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -101.4 -33.5 9.97 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.651 1.18 . . . . 0.0 110.071 174.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -65.2 111.91 3.18 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.771 -0.581 . . . . 0.0 110.245 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.9 p -90.09 2.76 54.9 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.479 1.112 . . . . 0.0 112.298 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.49 149.98 26.29 Favored Glycine 0 CA--C 1.534 1.244 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -174.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.4 t -53.43 168.66 0.15 Allowed 'General case' 0 C--O 1.239 0.547 0 C-N-CA 125.409 1.483 . . . . 0.0 114.106 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.52 -11.69 6.19 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 124.35 1.06 . . . . 0.0 112.424 171.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.0 t -73.45 -35.4 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 119.758 1.163 . . . . 0.0 109.044 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.1 p -131.18 -16.55 3.15 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 81.38 16.25 0.52 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -84.23 146.89 27.56 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.105 -1.622 . . . . 0.0 113.235 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -122.1 162.27 21.57 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.635 1.574 . . . . 0.0 109.851 174.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.283 4.0 p30 52.85 26.09 4.35 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.187 1.795 . . . . 0.0 114.812 -175.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -123.84 99.4 6.26 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 128.751 2.82 . . . . 0.0 111.572 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.36 150.31 17.97 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 175.689 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.52 166.08 18.65 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 131.336 3.854 . . . . 0.0 109.163 178.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.5 mt -128.92 135.05 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 125.842 1.657 . . . . 0.0 106.759 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.92 172.76 13.67 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.356 0.662 . . . . 0.0 111.848 178.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.279 0.0 OUTLIER 58.8 14.86 3.45 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 127.521 2.328 . . . . 0.0 115.004 178.822 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -51.68 111.21 0.56 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.719 2.008 . . . . 0.0 113.028 -178.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.6 m -107.48 156.06 19.39 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 125.44 1.496 . . . . 0.0 112.102 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.08 137.82 34.84 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.684 1.593 . . . . 0.0 110.046 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -131.85 146.64 52.24 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 126.435 1.894 . . . . 0.0 111.065 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -138.44 116.22 11.49 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.833 0.349 . . . . 0.0 110.7 175.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -118.84 121.47 40.09 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.346 1.458 . . . . 0.0 113.268 174.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 45.41 20.96 0.06 Allowed 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 118.374 2.731 . . . . 0.0 118.374 172.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.86 -21.16 9.71 Favored Glycine 0 N--CA 1.477 1.369 0 C-N-CA 126.25 1.881 . . . . 0.0 113.26 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -74.97 137.16 41.4 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.007 1.323 . . . . 0.0 108.984 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -117.93 129.79 55.83 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.696 1.598 . . . . 0.0 108.679 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.99 139.5 50.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 123.96 0.904 . . . . 0.0 109.433 -177.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.0 t -132.53 118.17 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.814 1.246 . . . . 0.0 108.929 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.9 p -121.93 135.33 54.86 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.426 0.691 . . . . 0.0 112.123 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -153.45 -171.08 3.79 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 178.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.69 158.16 44.16 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.096 1.358 . . . . 0.0 108.776 -178.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -112.52 141.34 46.39 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.158 1.383 . . . . 0.0 107.927 176.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.98 134.47 44.53 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.557 1.143 . . . . 0.0 110.968 -175.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -59.93 123.81 18.22 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.335 1.054 . . . . 0.0 110.597 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -63.11 -12.76 29.46 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 120.155 -1.591 . . . . 0.0 111.832 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -95.63 -68.32 0.81 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.581 1.152 . . . . 0.0 111.597 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.6 p -91.97 -6.45 51.24 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 71.9 m80 53.49 20.43 2.05 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 126.347 1.859 . . . . 0.0 115.061 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.18 146.65 53.2 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.965 1.306 . . . . 0.0 107.66 169.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.6 t -75.5 105.27 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 O-C-N 121.71 -0.618 . . . . 0.0 109.96 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.6 -45.37 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.415 1.486 . . . . 0.0 111.157 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.59 167.29 21.46 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.547 1.139 . . . . 0.0 112.454 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -115.25 140.59 48.97 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.783 1.633 . . . . 0.0 109.038 174.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -122.63 138.87 54.46 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.126 1.771 . . . . 0.0 112.453 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -140.15 131.05 26.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.451 1.1 . . . . 0.0 108.966 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -130.13 126.45 37.56 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 173.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.93 135.81 49.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.899 0.857 . . . . 0.0 108.74 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -128.58 126.86 41.17 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.103 0.961 . . . . 0.0 110.022 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.45 142.86 51.3 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.502 1.921 . . . . 0.0 113.645 -176.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.1 122.02 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.154 -0.967 . . . . 0.0 109.815 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.3 ptp -119.41 115.69 24.62 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.654 1.181 . . . . 0.0 113.16 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 49.49 -76.33 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 127.875 2.47 . . . . 0.0 116.787 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -130.7 12.81 5.36 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.174 2.19 . . . . 0.0 112.097 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -136.58 168.81 18.78 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 120.984 -1.073 . . . . 0.0 109.295 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -122.27 143.53 49.55 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.017 1.327 . . . . 0.0 109.462 175.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -121.7 130.93 53.8 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 126.745 2.018 . . . . 0.0 109.782 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -122.02 130.16 53.05 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 125.102 1.361 . . . . 0.0 109.144 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.91 142.61 36.46 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.845 0.831 . . . . 0.0 109.22 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.4 ttp -137.57 145.53 42.95 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 125.83 1.652 . . . . 0.0 109.315 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 tp -152.04 105.39 3.07 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.115 1.766 . . . . 0.0 110.318 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.2 t -141.96 136.62 30.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.218 1.807 . . . . 0.0 109.953 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.8 tp -59.58 -34.4 72.66 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.045 0.938 . . . . 0.0 111.851 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.0 tp -95.71 -63.48 1.15 Allowed 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.855 1.262 . . . . 0.0 110.975 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 72.9 m -64.25 -37.3 86.98 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -173.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.31 175.16 14.0 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 117.559 1.784 . . . . 0.0 117.559 172.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -111.76 120.81 43.26 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.185 1.394 . . . . 0.0 110.017 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.78 157.22 44.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -150.91 137.82 19.06 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.978 0.911 . . . . 0.0 110.79 174.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -141.89 152.43 43.57 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.019 1.728 . . . . 0.0 111.542 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.46 135.54 40.59 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.786 -0.571 . . . . 0.0 110.547 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.2 mt -122.19 125.42 72.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.836 1.254 . . . . 0.0 110.406 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.9 p -83.85 136.81 33.98 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.785 -0.572 . . . . 0.0 109.924 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.5 pt -129.83 164.56 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.188 1.395 . . . . 0.0 113.431 -174.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.9 mt -146.46 156.41 49.36 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 126.127 1.771 . . . . 0.0 109.949 176.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.56 -16.79 55.27 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.038 2.492 . . . . 0.0 113.153 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -75.68 0.85 16.27 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.339 1.856 . . . . 0.0 114.036 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.9 t0 52.12 66.53 4.97 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 126.346 1.858 . . . . 0.0 113.899 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.53 -44.84 0.47 Allowed 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 123.428 2.752 . . . . 0.0 111.551 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -145.95 -10.55 0.51 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 126.636 1.974 . . . . 0.0 115.061 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 . . . . . 0 N--CA 1.472 0.658 0 C-N-CA 126.156 1.783 . . . . 0.0 109.914 179.707 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.19 -34.89 1.09 Allowed Glycine 0 CA--C 1.532 1.103 0 C-N-CA 126.87 2.176 . . . . 0.0 111.358 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -66.15 -18.72 65.52 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.725 -0.867 . . . . 0.0 109.885 169.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 75.0 m -61.63 -26.84 68.25 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.207 1.803 . . . . 0.0 112.84 174.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 m -111.19 139.67 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.319 1.048 . . . . 0.0 111.847 -174.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.6 -40.71 95.99 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.939 1.296 . . . . 0.0 110.467 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -134.31 141.84 47.06 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 127.041 2.136 . . . . 0.0 109.27 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -81.89 123.56 28.95 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.616 0.766 . . . . 0.0 109.057 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 47.29 60.14 15.56 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.726 1.21 . . . . 0.0 113.083 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -62.81 146.45 95.05 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.247 2.632 . . . . 0.0 111.407 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -78.24 145.34 35.53 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.632 -1.292 . . . . 0.0 109.424 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.7 mmm-85 -119.18 28.79 8.03 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -174.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.55 37.25 74.52 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.325 0.488 . . . . 0.0 112.908 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 81.99 7.57 0.98 Allowed 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 128.676 2.791 . . . . 0.0 114.746 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.8 m -70.83 118.68 13.91 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.33 -1.481 . . . . 0.0 111.521 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.9 m -122.36 110.02 15.13 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.671 1.188 . . . . 0.0 110.349 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 mp -118.83 144.66 46.21 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.315 1.846 . . . . 0.0 113.915 -175.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.24 -7.35 39.21 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.944 2.098 . . . . 0.0 113.585 177.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -148.23 147.87 29.86 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.816 1.246 . . . . 0.0 111.469 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.63 -173.92 18.12 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.912 1.244 . . . . 0.0 115.118 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 m -152.67 128.6 10.29 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.855 2.462 . . . . 0.0 108.446 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -87.95 75.84 8.74 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -175.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.46 -25.54 16.69 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.91 -18.61 62.02 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.98 0.912 . . . . 0.0 113.143 175.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -102.99 -33.71 9.19 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.783 1.233 . . . . 0.0 109.661 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -65.16 111.18 2.82 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.507 -0.745 . . . . 0.0 110.169 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.0 p -90.39 2.82 55.21 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.288 1.035 . . . . 0.0 112.334 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.2 148.98 24.86 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.238 1.399 . . . . 0.0 109.686 -175.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.452 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 7.2 t -53.35 166.87 0.23 Allowed 'General case' 0 C--O 1.239 0.527 0 C-N-CA 125.38 1.472 . . . . 0.0 114.136 -177.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.36 -11.59 6.87 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.313 1.045 . . . . 0.0 112.295 172.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.65 -35.23 43.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 119.817 1.19 . . . . 0.0 109.139 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.6 p -131.92 -14.98 3.06 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 79.45 21.19 0.62 Allowed 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -89.58 146.22 24.72 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 119.814 -1.804 . . . . 0.0 113.104 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -121.68 162.34 20.91 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.606 1.562 . . . . 0.0 109.944 174.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.285 4.0 p30 52.9 26.19 4.48 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.134 1.774 . . . . 0.0 114.852 -175.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -123.77 99.61 6.36 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 128.81 2.844 . . . . 0.0 111.448 -177.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.24 150.06 17.97 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 175.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.16 166.17 18.18 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 131.333 3.853 . . . . 0.0 109.346 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.6 mt -128.39 134.06 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 126.002 1.721 . . . . 0.0 106.878 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.95 171.48 15.18 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.267 0.627 . . . . 0.0 111.572 178.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.281 0.0 OUTLIER 58.22 13.92 2.56 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 127.292 2.237 . . . . 0.0 115.134 179.121 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -51.95 108.1 0.25 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 127.256 2.223 . . . . 0.0 112.43 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.7 m -107.48 156.15 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.575 1.55 . . . . 0.0 112.515 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tt -139.79 137.76 35.29 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.15 1.38 . . . . 0.0 110.606 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -132.08 146.65 52.19 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 127.138 2.175 . . . . 0.0 111.233 -178.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -139.05 116.35 11.14 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.804 0.335 . . . . 0.0 111.487 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -118.92 121.39 39.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.26 1.424 . . . . 0.0 113.356 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 46.03 20.67 0.08 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 118.372 2.73 . . . . 0.0 118.372 172.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.63 -21.12 9.91 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 126.204 1.859 . . . . 0.0 113.212 -177.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -74.78 136.2 41.68 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.761 1.224 . . . . 0.0 108.781 174.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -118.06 129.82 55.78 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.543 1.537 . . . . 0.0 108.632 176.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.65 139.2 50.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 123.875 0.87 . . . . 0.0 109.446 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.5 t -132.42 118.2 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 124.995 1.318 . . . . 0.0 109.002 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.8 p -121.96 135.67 54.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.381 0.673 . . . . 0.0 111.743 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -152.23 -172.34 4.2 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.179 -0.95 . . . . 0.0 113.193 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.7 158.18 44.14 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.838 1.255 . . . . 0.0 108.616 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -112.84 141.35 46.75 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.035 1.334 . . . . 0.0 108.069 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.97 134.73 44.88 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.573 1.149 . . . . 0.0 110.996 -175.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -60.33 123.7 18.05 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.293 1.037 . . . . 0.0 110.721 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -62.94 -13.46 34.88 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.064 -1.647 . . . . 0.0 111.712 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -94.94 -67.91 0.83 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.443 1.097 . . . . 0.0 111.62 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.2 p -92.56 -6.29 49.9 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -177.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 73.3 m80 53.52 20.71 2.18 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.407 1.883 . . . . 0.0 115.045 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.15 146.59 53.28 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 169.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 80.7 t -75.8 104.69 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 O-C-N 121.647 -0.658 . . . . 0.0 109.881 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.9 -45.94 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.678 1.591 . . . . 0.0 111.24 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.14 167.84 21.63 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.615 1.166 . . . . 0.0 112.579 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.53 140.4 49.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.805 1.642 . . . . 0.0 109.129 174.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -122.44 139.83 53.41 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.309 1.844 . . . . 0.0 112.642 -177.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -140.18 133.36 29.65 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.625 1.17 . . . . 0.0 108.909 174.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -132.49 125.89 31.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 173.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.65 135.78 49.76 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -128.94 127.74 42.35 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.199 0.999 . . . . 0.0 110.286 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.81 142.87 50.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.369 1.868 . . . . 0.0 113.753 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -109.98 121.99 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 O-C-N 121.127 -0.983 . . . . 0.0 110.028 175.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.37 115.74 24.74 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.883 1.273 . . . . 0.0 113.903 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.7 t0 52.67 -70.63 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.421 2.688 . . . . 0.0 116.703 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -137.16 8.96 2.97 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.698 1.999 . . . . 0.0 111.956 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.1 170.28 14.22 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 120.815 -1.178 . . . . 0.0 109.213 -175.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -123.35 143.49 50.06 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.088 1.355 . . . . 0.0 109.321 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -121.63 129.38 52.77 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 126.725 2.01 . . . . 0.0 109.271 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -121.19 129.89 53.44 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.924 1.289 . . . . 0.0 109.129 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.89 141.89 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 122.047 0.927 . . . . 0.0 109.519 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.3 ttp -138.1 145.45 41.69 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 125.794 1.638 . . . . 0.0 109.421 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.65 105.66 3.17 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.228 1.811 . . . . 0.0 110.348 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.2 t -142.12 136.71 30.34 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 126.249 1.82 . . . . 0.0 110.015 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.8 tp -59.5 -34.48 72.65 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.227 1.011 . . . . 0.0 111.743 176.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.4 tp -95.65 -63.7 1.13 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.967 1.307 . . . . 0.0 111.04 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.0 m -64.39 -36.91 85.68 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -173.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.62 174.73 13.85 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 117.858 1.903 . . . . 0.0 117.858 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -113.09 118.42 34.72 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.259 1.424 . . . . 0.0 110.191 174.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.77 157.24 44.52 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -150.87 137.75 19.05 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.265 1.026 . . . . 0.0 111.121 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -141.74 152.49 43.86 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.187 1.795 . . . . 0.0 111.693 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.5 133.7 38.74 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.792 -0.567 . . . . 0.0 110.55 174.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.2 mt -122.25 126.84 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.233 1.413 . . . . 0.0 111.124 -177.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.2 p -81.45 134.05 35.49 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.208 -0.932 . . . . 0.0 109.099 173.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.95 -175.71 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.512 1.125 . . . . 0.0 113.983 -174.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 72.6 mt -134.89 164.6 42.88 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 128.658 2.783 . . . . 0.0 108.85 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -59.15 -14.94 25.95 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 123.162 2.575 . . . . 0.0 114.787 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -76.93 -2.69 34.98 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.347 1.459 . . . . 0.0 113.033 174.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t0 50.83 56.19 17.0 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 127.36 2.264 . . . . 0.0 115.063 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -70.94 -22.61 26.43 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.226 2.617 . . . . 0.0 114.185 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . 0.271 9.3 ptm180 36.3 45.36 0.34 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.024 2.53 . . . . 0.0 116.117 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.4 pt20 . . . . . 0 CA--C 1.544 0.714 0 C-N-CA 126.394 1.878 . . . . 0.0 113.49 -179.813 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.7 -33.81 1.01 Allowed Glycine 0 CA--C 1.531 1.057 0 C-N-CA 126.907 2.194 . . . . 0.0 111.888 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.46 -18.25 65.25 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 118.11 0.955 . . . . 0.0 109.975 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.2 m -61.8 -27.06 68.49 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.925 1.69 . . . . 0.0 112.908 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 m -111.09 139.0 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.69 1.196 . . . . 0.0 111.72 -174.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.04 -38.25 90.25 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.921 -1.112 . . . . 0.0 111.228 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -137.07 144.15 42.98 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.58 1.952 . . . . 0.0 109.369 175.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -81.63 124.64 29.72 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.077 0.951 . . . . 0.0 109.321 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 45.96 59.71 14.88 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 124.944 1.298 . . . . 0.0 113.43 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -63.2 145.14 93.23 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.283 2.656 . . . . 0.0 111.681 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -76.48 143.04 40.74 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.916 -1.115 . . . . 0.0 109.262 176.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.53 31.05 6.76 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -175.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.9 36.7 67.44 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 123.371 0.51 . . . . 0.0 113.146 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 83.19 7.85 0.7 Allowed 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 128.694 2.797 . . . . 0.0 114.779 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.0 m -70.84 117.75 12.75 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.247 -1.533 . . . . 0.0 111.595 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.2 m -121.64 109.8 15.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.48 1.112 . . . . 0.0 110.417 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.28 144.85 46.57 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.312 1.845 . . . . 0.0 113.618 -175.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -96.13 -2.09 47.17 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.372 1.469 . . . . 0.0 113.128 176.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -148.96 155.19 40.47 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.346 1.058 . . . . 0.0 112.718 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.07 -174.98 15.66 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.676 1.608 . . . . 0.0 114.324 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.4 m -150.18 116.94 5.85 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.472 2.309 . . . . 0.0 108.052 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -74.12 77.71 1.75 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 -173.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 mt -51.44 -30.15 18.5 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.8 mt -70.37 -20.19 62.97 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.861 0.864 . . . . 0.0 113.286 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -101.04 -33.66 10.06 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.161 0.984 . . . . 0.0 109.788 174.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -65.98 109.9 2.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.263 0.483 . . . . 0.0 110.01 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 p -91.06 7.73 38.99 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.237 1.015 . . . . 0.0 112.224 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.67 150.79 26.85 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.29 1.424 . . . . 0.0 109.631 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.1 t -53.56 170.06 0.12 Allowed 'General case' 0 C--O 1.24 0.556 0 C-N-CA 125.785 1.634 . . . . 0.0 114.268 -177.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.33 -11.58 5.73 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.377 171.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -73.9 -35.36 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 119.702 1.137 . . . . 0.0 109.003 171.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.0 p -131.68 -17.08 2.9 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 82.02 14.31 0.52 Allowed 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -82.24 145.49 30.0 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 119.971 -1.706 . . . . 0.0 113.184 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -119.97 160.66 22.32 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.798 1.639 . . . . 0.0 110.027 175.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.2 26.69 4.1 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.314 1.846 . . . . 0.0 114.934 -175.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.41 98.96 6.17 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 128.751 2.82 . . . . 0.0 111.372 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.49 150.45 19.62 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 176.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.16 166.23 18.07 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 131.283 3.833 . . . . 0.0 108.994 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 88.9 mt -128.78 134.96 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.839 1.656 . . . . 0.0 106.855 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.64 173.17 12.99 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.278 0.631 . . . . 0.0 111.911 178.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.281 0.0 OUTLIER 57.43 16.54 3.28 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.396 2.278 . . . . 0.0 115.184 178.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -53.2 112.99 0.98 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.671 1.988 . . . . 0.0 113.291 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.2 m -107.44 156.16 19.26 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 125.795 1.638 . . . . 0.0 112.104 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -139.69 137.81 35.49 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.724 1.61 . . . . 0.0 109.698 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -132.09 146.63 52.18 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 126.256 1.823 . . . . 0.0 111.451 -178.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -139.22 116.41 11.1 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.753 0.311 . . . . 0.0 111.647 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.85 121.42 39.96 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.049 1.34 . . . . 0.0 113.302 173.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 44.98 20.98 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 118.401 2.741 . . . . 0.0 118.401 172.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.19 -21.16 9.48 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 126.184 1.85 . . . . 0.0 113.253 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -73.75 136.76 43.67 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.95 1.3 . . . . 0.0 108.901 174.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -118.02 129.79 55.79 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.431 1.492 . . . . 0.0 108.704 176.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.14 138.61 52.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 124.056 0.942 . . . . 0.0 109.497 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.8 t -132.46 118.1 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.672 1.189 . . . . 0.0 108.894 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.4 p -121.89 134.99 54.86 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.683 0.793 . . . . 0.0 111.979 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -154.19 -171.27 3.81 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.079 -1.013 . . . . 0.0 113.525 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.67 158.21 44.1 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.844 1.257 . . . . 0.0 109.099 -178.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -112.46 141.33 46.34 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.167 1.387 . . . . 0.0 108.389 177.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.45 134.78 45.5 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.712 1.205 . . . . 0.0 111.023 -176.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.76 123.4 16.85 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.457 1.103 . . . . 0.0 110.593 177.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -63.06 -13.42 35.67 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.128 -1.607 . . . . 0.0 111.637 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -94.91 -68.13 0.82 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.454 1.102 . . . . 0.0 111.647 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.6 p -92.1 -6.36 51.02 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 73.3 m80 53.67 21.04 2.43 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.374 1.87 . . . . 0.0 114.948 -177.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.11 146.82 52.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.123 1.369 . . . . 0.0 107.572 169.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 80.8 t -75.56 104.81 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 O-C-N 121.502 -0.749 . . . . 0.0 109.986 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.42 -45.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.516 1.526 . . . . 0.0 111.208 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.35 168.75 20.01 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.487 1.115 . . . . 0.0 112.778 -175.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.93 140.2 49.75 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.067 1.747 . . . . 0.0 109.245 174.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -123.06 139.73 53.76 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 126.102 1.761 . . . . 0.0 112.725 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -140.19 133.1 29.26 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.624 1.17 . . . . 0.0 108.703 174.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -131.98 126.66 34.53 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 174.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.28 135.85 49.3 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -129.22 127.42 41.24 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.146 0.978 . . . . 0.0 109.926 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.29 142.94 50.99 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.387 1.875 . . . . 0.0 113.51 -176.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.3 mt -109.76 121.97 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 O-C-N 121.0 -1.062 . . . . 0.0 109.75 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.43 115.68 24.57 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.811 1.245 . . . . 0.0 114.133 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.2 t0 51.27 -68.62 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 128.483 2.713 . . . . 0.0 117.457 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -135.36 6.23 3.28 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.931 2.092 . . . . 0.0 112.178 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -132.59 170.7 14.81 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.77 -1.206 . . . . 0.0 109.929 -175.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -121.83 143.52 49.36 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 125.039 1.336 . . . . 0.0 109.398 175.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -121.87 130.97 53.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 126.84 2.056 . . . . 0.0 109.461 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -122.45 130.43 53.06 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 124.97 1.308 . . . . 0.0 109.2 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.9 142.98 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 122.078 0.942 . . . . 0.0 109.581 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 53.3 ttp -138.86 145.04 39.51 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 125.871 1.668 . . . . 0.0 109.328 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 tp -151.98 105.27 3.07 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.897 1.679 . . . . 0.0 110.296 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.7 t -141.99 136.81 30.68 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.361 1.864 . . . . 0.0 110.1 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.1 tp -59.16 -34.48 72.14 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.265 1.026 . . . . 0.0 111.817 176.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -96.15 -63.71 1.12 Allowed 'General case' 0 C--O 1.231 0.12 0 C-N-CA 125.021 1.328 . . . . 0.0 111.315 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 75.5 m -63.8 -37.47 87.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -173.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.55 175.27 14.03 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 172.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -112.41 118.7 35.9 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.699 1.6 . . . . 0.0 110.285 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.78 157.24 44.52 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -150.78 137.71 19.11 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.186 0.994 . . . . 0.0 110.86 174.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -141.75 152.47 43.83 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.32 1.848 . . . . 0.0 111.84 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.23 132.59 36.06 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.823 -0.548 . . . . 0.0 110.692 174.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.6 mt -122.22 127.29 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.365 1.466 . . . . 0.0 111.155 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.0 p -81.4 138.73 35.56 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.224 -0.923 . . . . 0.0 110.271 174.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -134.99 176.54 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.949 1.3 . . . . 0.0 112.695 -177.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 67.3 mt -140.52 161.13 56.41 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 126.55 1.94 . . . . 0.0 110.504 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -61.94 -17.9 58.26 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.198 2.599 . . . . 0.0 113.363 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.06 -2.14 23.07 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.78 1.632 . . . . 0.0 113.085 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.2 t0 52.58 58.14 14.9 Favored Pre-proline 0 CA--C 1.554 1.12 0 C-N-CA 126.899 2.08 . . . . 0.0 114.642 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.56 -24.24 30.81 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.189 2.593 . . . . 0.0 112.649 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 38.73 45.4 0.91 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.664 2.786 . . . . 0.0 115.789 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 . . . . . 0 N--CA 1.474 0.75 0 C-N-CA 125.127 1.371 . . . . 0.0 114.484 -178.491 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.75 -34.05 1.02 Allowed Glycine 0 CA--C 1.531 1.057 0 C-N-CA 127.021 2.248 . . . . 0.0 111.834 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -66.0 -18.33 65.27 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 118.033 0.917 . . . . 0.0 109.998 169.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.93 -26.77 68.38 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.736 1.614 . . . . 0.0 112.855 175.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 m -111.33 138.79 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.375 1.07 . . . . 0.0 112.197 -174.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.99 -40.19 94.59 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.861 1.265 . . . . 0.0 110.693 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.7 mtmm -134.7 138.8 44.71 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.626 1.971 . . . . 0.0 108.969 178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.09 124.65 29.39 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.693 0.797 . . . . 0.0 109.272 175.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 46.1 59.88 14.83 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 124.844 1.258 . . . . 0.0 113.027 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -62.98 144.51 93.19 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.42 2.747 . . . . 0.0 111.615 -178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -77.29 144.3 38.21 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.358 -1.464 . . . . 0.0 109.43 175.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.6 mmm-85 -116.92 30.01 7.58 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.11 0.964 . . . . 0.0 113.522 -176.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.33 12.67 13.25 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 126.156 1.836 . . . . 0.0 116.604 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 120.21 -2.49 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.132 1 C-N-CA 132.662 4.385 . . . . 0.0 115.576 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 88.7 m -65.31 117.47 7.9 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 120.881 -1.137 . . . . 0.0 112.737 -175.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.0 m -122.41 108.71 13.51 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.752 1.221 . . . . 0.0 110.121 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -118.83 146.63 44.7 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.043 1.737 . . . . 0.0 113.489 -175.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.41 -6.21 44.61 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.403 1.881 . . . . 0.0 113.209 176.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -148.78 152.45 36.57 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.498 1.119 . . . . 0.0 112.591 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.15 -175.77 16.38 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.535 1.541 . . . . 0.0 114.34 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -151.72 117.49 5.45 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.353 2.261 . . . . 0.0 108.337 176.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -74.86 76.71 2.13 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.3 mt -52.05 -30.43 25.66 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -178.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.8 mt -69.49 -16.48 63.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.72 1.208 . . . . 0.0 113.567 176.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -107.89 -30.68 8.36 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.841 1.256 . . . . 0.0 109.982 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -67.7 112.16 4.65 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.982 0.81 . . . . 0.0 109.96 174.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 p -93.28 8.74 39.12 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.6 1.16 . . . . 0.0 112.537 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.21 150.12 25.42 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.175 1.369 . . . . 0.0 109.909 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.67 169.87 0.13 Allowed 'General case' 0 C--O 1.239 0.52 0 C-N-CA 125.955 1.702 . . . . 0.0 114.094 -177.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.59 -12.04 4.95 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 114.529 -1.214 . . . . 0.0 112.584 171.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 36.6 t -72.94 -35.49 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 119.946 1.248 . . . . 0.0 109.043 171.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.6 p -130.77 -17.62 3.17 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.53 16.73 0.48 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.541 1.936 . . . . 0.0 116.059 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -82.88 149.52 27.06 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 119.73 -1.856 . . . . 0.0 112.895 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -125.48 160.98 28.13 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.607 1.563 . . . . 0.0 109.989 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.274 4.0 p30 52.88 26.06 4.37 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.119 1.768 . . . . 0.0 114.551 -174.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -123.15 98.95 6.11 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 128.918 2.887 . . . . 0.0 111.326 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.06 149.42 15.99 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 176.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.33 166.53 17.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 131.02 3.728 . . . . 0.0 109.172 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.8 mt -127.57 134.34 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 125.629 1.572 . . . . 0.0 106.881 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.61 177.81 9.42 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.692 0.797 . . . . 0.0 111.07 178.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.1 t30 57.63 20.18 6.07 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.627 1.171 . . . . 0.0 113.479 174.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -61.32 114.68 3.32 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 127.182 2.193 . . . . 0.0 112.833 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.5 m -107.53 156.09 19.38 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.822 1.649 . . . . 0.0 111.783 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -139.63 137.7 35.51 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.581 1.552 . . . . 0.0 109.698 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -131.94 146.63 52.21 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 126.576 1.951 . . . . 0.0 111.097 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -138.95 116.32 11.19 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.764 0.316 . . . . 0.0 110.818 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -118.79 121.43 40.05 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.007 1.323 . . . . 0.0 113.096 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 t70 45.01 20.43 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.31 0 N-CA-C 118.389 2.737 . . . . 0.0 118.389 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.34 -21.03 9.44 Favored Glycine 0 N--CA 1.478 1.439 0 C-N-CA 126.302 1.906 . . . . 0.0 113.271 -176.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -74.55 137.45 42.41 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.242 1.417 . . . . 0.0 108.956 174.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -118.1 129.86 55.79 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.56 1.544 . . . . 0.0 108.735 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.84 139.1 51.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 C-N-CA 123.844 0.858 . . . . 0.0 109.421 -178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.49 118.05 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.8 1.24 . . . . 0.0 109.028 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.7 p -121.95 135.3 54.85 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.636 0.774 . . . . 0.0 111.748 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -154.13 -168.53 2.98 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.994 -1.066 . . . . 0.0 113.165 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -141.67 158.34 43.94 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.383 1.073 . . . . 0.0 109.778 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -108.45 138.92 43.94 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 172.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 mp -132.41 131.34 41.69 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.462 1.105 . . . . 0.0 110.41 -175.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.4 t -57.79 124.02 17.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.53 1.132 . . . . 0.0 110.888 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -62.78 -13.82 37.74 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.092 -1.63 . . . . 0.0 111.749 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -94.82 -67.45 0.85 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.358 1.063 . . . . 0.0 111.783 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.6 p -92.6 -6.54 49.27 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.312 70.3 m80 52.54 21.41 1.79 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.399 1.88 . . . . 0.0 114.973 -176.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.19 146.65 52.24 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.186 1.394 . . . . 0.0 107.46 169.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.5 t -75.14 105.38 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 121.593 -0.692 . . . . 0.0 109.847 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.1 mt -60.82 -44.71 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 125.498 1.519 . . . . 0.0 110.794 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -164.67 163.93 21.51 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.764 1.226 . . . . 0.0 111.997 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -109.91 142.74 40.83 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.132 1.373 . . . . 0.0 108.596 173.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -123.81 137.96 54.58 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.854 1.661 . . . . 0.0 111.527 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -138.07 131.54 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.607 1.163 . . . . 0.0 108.77 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -130.9 126.22 35.58 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 174.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.93 135.78 49.49 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -128.55 126.57 40.62 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.017 0.927 . . . . 0.0 109.685 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.74 142.82 51.21 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.576 1.95 . . . . 0.0 113.602 -176.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.3 mt -109.6 121.98 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 O-C-N 121.136 -0.977 . . . . 0.0 109.68 174.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.49 115.69 24.57 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.792 1.237 . . . . 0.0 114.221 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.1 t0 51.84 -69.04 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 128.459 2.704 . . . . 0.0 117.184 175.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -135.79 6.79 3.2 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.917 2.087 . . . . 0.0 112.179 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.92 170.29 15.09 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 120.796 -1.19 . . . . 0.0 109.909 -175.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -121.69 143.46 49.34 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 124.956 1.302 . . . . 0.0 109.194 175.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -122.17 130.68 53.44 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 126.848 2.059 . . . . 0.0 109.562 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -121.81 129.61 52.77 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 125.043 1.337 . . . . 0.0 109.035 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -140.0 143.02 36.26 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 122.066 0.936 . . . . 0.0 109.044 177.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.7 ttp -137.71 145.53 42.65 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 125.732 1.613 . . . . 0.0 109.299 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 tp -151.23 105.79 3.25 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.256 1.823 . . . . 0.0 110.098 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.8 t -142.35 136.01 29.21 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 126.261 1.824 . . . . 0.0 109.764 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.9 tp -59.57 -34.18 72.38 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.073 0.949 . . . . 0.0 111.824 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.5 tp -94.59 -63.36 1.19 Allowed 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.882 1.273 . . . . 0.0 111.55 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 80.4 m -65.77 -38.68 89.71 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.626 1.17 . . . . 0.0 113.494 -173.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.82 174.16 13.59 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 118.309 2.084 . . . . 0.0 118.309 173.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -113.47 116.81 30.18 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.325 1.45 . . . . 0.0 109.894 174.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.74 157.35 44.45 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -150.12 138.97 20.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.211 1.005 . . . . 0.0 111.216 176.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -141.69 152.41 43.85 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.145 1.778 . . . . 0.0 111.589 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.6 m -136.59 133.79 36.72 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.701 -0.625 . . . . 0.0 110.711 174.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.0 mt -122.22 126.54 74.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.306 1.442 . . . . 0.0 110.755 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.8 p -81.45 136.91 35.68 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.217 -0.927 . . . . 0.0 109.617 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -133.33 179.19 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.863 1.265 . . . . 0.0 112.923 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 74.2 mt -138.46 164.45 40.05 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 126.957 2.103 . . . . 0.0 110.582 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -61.05 -15.24 38.01 Favored 'Trans proline' 0 CA--C 1.545 1.052 0 C-N-CA 122.971 2.447 . . . . 0.0 113.791 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -73.15 -2.28 20.91 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.853 1.661 . . . . 0.0 112.892 174.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.6 t70 56.04 51.99 6.75 Favored Pre-proline 0 CA--C 1.557 1.237 0 C-N-CA 127.411 2.285 . . . . 0.0 115.117 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.75 -30.78 17.18 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 123.373 2.716 . . . . 0.0 115.139 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 44.25 37.73 2.08 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.444 1.897 . . . . 0.0 114.841 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 . . . . . 0 N--CA 1.471 0.622 0 C-N-CA 125.395 1.478 . . . . 0.0 113.482 -178.183 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.72 -34.01 1.02 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 127.041 2.258 . . . . 0.0 111.669 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -66.15 -18.38 65.31 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.732 -0.864 . . . . 0.0 110.054 169.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 84.5 m -62.89 -24.73 67.96 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.959 1.703 . . . . 0.0 112.947 175.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.1 m -113.31 139.86 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.469 1.107 . . . . 0.0 111.827 -174.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -65.45 -38.56 90.19 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.841 -1.162 . . . . 0.0 111.113 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -136.41 143.72 44.1 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.583 1.953 . . . . 0.0 109.373 175.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -81.66 125.42 30.55 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.059 0.943 . . . . 0.0 109.416 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 45.6 59.75 14.44 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.853 1.261 . . . . 0.0 113.077 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -62.47 146.08 95.57 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.2 2.6 . . . . 0.0 111.361 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -76.37 145.64 39.3 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.583 -1.323 . . . . 0.0 109.13 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 -120.87 29.22 7.49 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.99 37.89 72.89 Favored Glycine 0 CA--C 1.536 1.39 0 O-C-N 121.973 -0.454 . . . . 0.0 112.907 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 79.72 9.4 1.51 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 128.396 2.678 . . . . 0.0 114.731 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.2 m -72.22 118.2 14.81 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.214 -1.554 . . . . 0.0 111.375 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.3 m -122.2 109.45 14.5 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.459 1.103 . . . . 0.0 110.552 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.8 mp -121.27 149.39 42.95 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.855 1.662 . . . . 0.0 114.093 -174.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.88 1.98 40.49 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.472 2.309 . . . . 0.0 112.824 176.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -141.34 157.5 45.11 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.491 1.516 . . . . 0.0 112.801 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.76 -177.57 33.08 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.116 1.341 . . . . 0.0 116.004 175.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.7 m -147.84 121.79 9.4 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 128.297 2.639 . . . . 0.0 108.57 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -75.06 77.07 2.24 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.5 mt -51.72 -31.16 25.12 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.8 mt -68.43 -17.85 64.3 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.528 1.131 . . . . 0.0 113.393 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -104.24 -33.01 8.84 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.484 1.114 . . . . 0.0 110.135 174.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -66.53 111.48 3.62 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.64 -0.662 . . . . 0.0 110.67 176.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 p -93.64 7.21 45.61 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.699 1.2 . . . . 0.0 112.835 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.41 148.01 23.29 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.9 t -53.51 166.24 0.31 Allowed 'General case' 0 C--O 1.239 0.515 0 C-N-CA 125.23 1.412 . . . . 0.0 113.979 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.61 -11.88 6.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.498 1.119 . . . . 0.0 112.702 172.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 36.1 t -72.12 -35.11 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 120.056 1.298 . . . . 0.0 109.025 171.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.7 p -130.74 -15.67 3.44 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t 80.85 21.17 0.42 Allowed 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -91.84 144.27 25.66 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.201 -1.562 . . . . 0.0 113.394 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.8 ttt-85 -120.27 162.57 19.19 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.585 1.554 . . . . 0.0 109.437 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.285 3.4 p30 54.52 20.6 2.91 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 126.168 1.787 . . . . 0.0 114.905 -174.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -119.21 100.78 7.54 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 128.771 2.828 . . . . 0.0 110.462 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.6 ptp -164.69 148.23 8.96 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.22 166.73 19.68 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 131.332 3.853 . . . . 0.0 109.763 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 88.4 mt -127.9 134.9 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.867 1.667 . . . . 0.0 106.539 173.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.72 177.59 9.38 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.655 0.782 . . . . 0.0 111.22 178.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.0 t30 58.24 17.78 4.9 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.777 1.231 . . . . 0.0 113.621 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -58.08 111.83 1.32 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 127.224 2.21 . . . . 0.0 112.626 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.5 m -107.47 155.38 20.12 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 125.625 1.57 . . . . 0.0 111.931 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -139.35 137.74 36.03 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.546 1.538 . . . . 0.0 110.149 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -131.99 146.66 52.22 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.482 1.913 . . . . 0.0 111.049 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.81 116.34 11.31 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.74 0.305 . . . . 0.0 110.796 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -118.84 121.42 39.97 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.964 1.306 . . . . 0.0 113.023 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.5 t70 44.98 20.53 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.304 0 N-CA-C 118.432 2.753 . . . . 0.0 118.432 171.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.52 -21.11 9.3 Favored Glycine 0 N--CA 1.477 1.398 0 C-N-CA 126.381 1.943 . . . . 0.0 113.428 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -74.73 137.71 42.25 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.257 1.423 . . . . 0.0 108.987 174.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -117.99 129.9 55.87 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.441 1.496 . . . . 0.0 108.785 176.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.87 139.21 51.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 123.848 0.859 . . . . 0.0 109.474 -178.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.2 t -132.39 118.17 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 124.913 1.285 . . . . 0.0 109.036 177.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.4 p -122.02 135.1 54.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.529 0.732 . . . . 0.0 112.041 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -153.19 -168.84 3.14 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.104 -0.997 . . . . 0.0 113.507 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -141.75 158.35 43.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.709 1.204 . . . . 0.0 109.353 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -109.91 137.86 47.11 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 105.987 -1.856 . . . . 0.0 105.987 172.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.1 mp -131.93 132.04 43.2 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.767 1.227 . . . . 0.0 110.603 -174.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.7 t -59.31 125.44 23.65 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.382 1.073 . . . . 0.0 111.036 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -63.47 -13.07 36.85 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.215 -1.553 . . . . 0.0 111.891 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -95.58 -66.36 0.91 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.291 1.036 . . . . 0.0 111.682 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.8 p -94.09 -6.24 45.52 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 -178.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.305 66.2 m80 52.46 20.96 1.6 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.487 1.915 . . . . 0.0 114.974 -176.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.93 146.48 53.56 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.043 1.337 . . . . 0.0 107.502 169.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.8 t -75.41 105.16 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 O-C-N 121.712 -0.618 . . . . 0.0 109.788 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.8 mt -60.08 -44.38 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 125.802 1.641 . . . . 0.0 110.671 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -164.91 163.17 21.01 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.844 1.258 . . . . 0.0 111.999 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -109.96 142.11 41.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.105 1.362 . . . . 0.0 108.843 172.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -122.24 138.55 54.45 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.02 1.728 . . . . 0.0 111.675 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -139.51 130.36 26.14 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.456 1.103 . . . . 0.0 108.939 175.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -129.44 126.84 39.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 173.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.26 135.77 49.21 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -128.7 127.18 41.6 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.093 0.957 . . . . 0.0 110.003 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.32 142.98 50.97 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.428 1.891 . . . . 0.0 113.615 -176.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.11 121.95 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 O-C-N 121.068 -1.02 . . . . 0.0 109.855 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.45 115.78 24.77 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.754 1.222 . . . . 0.0 113.883 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 50.77 -69.58 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.471 2.708 . . . . 0.0 117.469 176.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -135.36 6.47 3.29 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.895 2.078 . . . . 0.0 111.986 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.29 170.23 15.34 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 121.007 -1.058 . . . . 0.0 109.724 -175.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -122.39 143.49 49.63 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.968 1.307 . . . . 0.0 109.365 175.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -121.58 130.42 53.5 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 126.785 2.034 . . . . 0.0 109.612 -178.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -121.87 130.09 53.1 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 125.094 1.358 . . . . 0.0 109.177 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.92 143.27 36.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 122.223 1.011 . . . . 0.0 109.579 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.7 ttp -138.95 144.91 39.22 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.766 1.626 . . . . 0.0 109.237 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 tp -151.76 105.41 3.12 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.102 1.761 . . . . 0.0 110.025 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.7 t -141.6 136.15 30.74 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.267 1.827 . . . . 0.0 109.758 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.9 tp -59.8 -34.19 72.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.017 0.927 . . . . 0.0 111.802 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.1 tp -94.99 -63.99 1.11 Allowed 'General case' 0 C--O 1.231 0.129 0 C-N-CA 125.134 1.373 . . . . 0.0 111.128 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.7 m -64.5 -37.63 88.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.028 0.931 . . . . 0.0 113.396 -173.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.08 175.22 14.0 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 117.61 1.804 . . . . 0.0 117.61 173.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -111.62 120.92 43.7 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 125.127 1.371 . . . . 0.0 110.093 174.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.75 157.17 44.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.436 1.095 . . . . 0.0 113.92 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -151.83 137.71 18.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.963 0.905 . . . . 0.0 110.838 174.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -141.87 152.46 43.63 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.143 1.777 . . . . 0.0 111.615 178.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.87 133.47 37.79 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 121.799 -0.563 . . . . 0.0 110.533 174.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.3 mt -122.22 125.83 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.117 1.367 . . . . 0.0 110.739 -177.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.2 p -81.25 136.3 35.8 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.437 -0.789 . . . . 0.0 109.703 174.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -133.66 178.13 6.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.806 1.243 . . . . 0.0 112.935 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 65.0 mt -139.65 163.25 46.29 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 126.907 2.083 . . . . 0.0 110.257 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -61.25 -17.46 52.91 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 123.022 2.482 . . . . 0.0 113.571 177.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -74.07 -2.86 26.2 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.718 1.607 . . . . 0.0 112.936 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.2 t0 52.64 56.98 15.23 Favored Pre-proline 0 CA--C 1.554 1.105 0 C-N-CA 127.22 2.208 . . . . 0.0 114.909 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.85 -25.57 28.04 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.014 2.476 . . . . 0.0 112.397 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 42.18 34.19 0.46 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 128.813 2.845 . . . . 0.0 116.36 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 . . . . . 0 N--CA 1.473 0.682 0 C-N-CA 126.026 1.73 . . . . 0.0 113.716 -177.807 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.78 -33.94 1.03 Allowed Glycine 0 CA--C 1.533 1.169 0 C-N-CA 126.851 2.167 . . . . 0.0 111.792 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -66.54 -18.02 65.13 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 117.993 0.896 . . . . 0.0 110.088 169.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.97 -27.43 68.85 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.971 1.708 . . . . 0.0 112.767 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.1 m -110.66 139.27 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.584 1.154 . . . . 0.0 111.686 -175.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -64.5 -40.47 95.71 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.686 1.194 . . . . 0.0 110.617 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -134.27 141.96 47.15 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.97 2.108 . . . . 0.0 109.335 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -81.73 123.68 28.96 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.592 0.757 . . . . 0.0 109.09 174.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 47.1 60.13 15.5 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.72 1.208 . . . . 0.0 113.103 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -62.97 145.04 94.19 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.115 2.543 . . . . 0.0 111.577 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -77.68 143.91 37.76 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.589 -1.319 . . . . 0.0 109.481 175.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -119.04 30.92 6.9 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -175.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.83 37.42 69.54 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 123.474 0.559 . . . . 0.0 113.025 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.34 6.82 0.74 Allowed 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 128.774 2.829 . . . . 0.0 114.743 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.7 m -70.6 117.72 12.5 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.332 -1.48 . . . . 0.0 111.44 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.6 m -121.76 109.08 14.27 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.643 1.177 . . . . 0.0 110.247 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.65 146.36 44.74 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.108 1.763 . . . . 0.0 113.584 -175.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.27 -4.37 42.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.646 1.978 . . . . 0.0 113.032 176.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -144.61 157.41 44.22 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.07 -171.64 19.94 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.766 1.65 . . . . 0.0 115.015 176.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.1 m -148.49 120.98 8.5 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.7 2.4 . . . . 0.0 108.238 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -75.26 77.92 2.37 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -174.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.5 mt -51.66 -29.33 17.51 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -177.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.35 -19.31 63.06 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -102.66 -33.74 9.33 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.491 1.116 . . . . 0.0 109.559 175.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -66.0 109.32 2.51 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.657 0.662 . . . . 0.0 110.084 175.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -90.44 6.9 41.41 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.317 1.047 . . . . 0.0 112.135 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.05 151.3 27.8 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.485 1.516 . . . . 0.0 109.584 -175.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.9 t -53.47 169.55 0.13 Allowed 'General case' 0 C--O 1.239 0.519 0 C-N-CA 125.87 1.668 . . . . 0.0 114.213 -177.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.09 -11.68 5.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.375 171.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.3 t -73.6 -35.55 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 119.74 1.155 . . . . 0.0 109.136 171.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.0 p -131.41 -16.79 3.03 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 116.245 1.942 . . . . 0.0 116.245 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t 80.8 15.42 0.65 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -82.26 149.25 27.93 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.034 -1.666 . . . . 0.0 112.908 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -124.27 160.65 27.51 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 125.648 1.579 . . . . 0.0 110.165 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.1 27.14 4.3 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.298 1.839 . . . . 0.0 114.908 -175.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.82 99.56 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 128.782 2.833 . . . . 0.0 111.14 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.73 150.03 18.83 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 177.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.48 166.47 17.88 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 131.106 3.762 . . . . 0.0 109.572 178.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.6 mt -127.66 133.37 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 126.206 1.802 . . . . 0.0 107.031 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.57 172.41 13.62 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.671 0.788 . . . . 0.0 111.705 178.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.266 0.0 OUTLIER 56.97 12.0 1.1 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.443 2.297 . . . . 0.0 115.213 179.435 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -51.91 112.39 0.77 Allowed 'General case' 0 C--O 1.234 0.261 0 C-N-CA 127.79 2.436 . . . . 0.0 113.706 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.4 m -107.54 156.18 19.28 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.392 1.477 . . . . 0.0 112.5 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -139.66 137.77 35.52 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.908 1.683 . . . . 0.0 109.517 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -132.07 146.66 52.2 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 126.384 1.874 . . . . 0.0 111.114 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -138.78 116.27 11.27 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.851 0.358 . . . . 0.0 110.792 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -118.9 121.5 40.12 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.163 1.385 . . . . 0.0 113.134 175.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 44.9 20.83 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 118.442 2.756 . . . . 0.0 118.442 172.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.05 -20.99 9.63 Favored Glycine 0 N--CA 1.477 1.392 0 C-N-CA 126.329 1.918 . . . . 0.0 113.381 -177.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -74.68 137.53 42.21 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.273 1.429 . . . . 0.0 109.0 174.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -118.06 129.76 55.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.714 1.606 . . . . 0.0 108.841 176.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.83 139.37 50.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 123.869 0.868 . . . . 0.0 109.312 -178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.3 t -132.51 118.13 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.649 1.18 . . . . 0.0 108.682 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.0 p -122.04 134.25 54.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.742 0.817 . . . . 0.0 111.708 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -154.16 -170.83 3.67 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.177 -0.952 . . . . 0.0 113.265 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.61 158.19 44.15 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.918 1.287 . . . . 0.0 108.718 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -112.23 140.43 46.94 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.157 1.383 . . . . 0.0 108.059 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mp -132.18 133.81 44.64 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.698 1.199 . . . . 0.0 110.889 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.0 t -59.07 123.3 16.16 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.401 1.08 . . . . 0.0 110.611 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -63.08 -12.6 28.02 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 120.097 -1.627 . . . . 0.0 111.769 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -95.5 -67.98 0.82 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.503 1.121 . . . . 0.0 111.685 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.51 -6.17 50.28 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.29 70.7 m80 53.37 20.73 2.07 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.45 1.9 . . . . 0.0 115.067 -177.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.91 146.62 52.65 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.041 1.336 . . . . 0.0 107.676 169.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.7 t -75.65 105.1 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 121.617 -0.677 . . . . 0.0 110.038 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.9 mt -61.82 -45.82 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.485 1.514 . . . . 0.0 111.166 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.4 168.55 20.19 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.497 1.119 . . . . 0.0 112.636 -175.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.62 140.4 49.44 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.038 1.735 . . . . 0.0 109.157 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.72 139.32 54.11 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.077 1.751 . . . . 0.0 112.757 -177.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -140.09 131.81 27.37 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.637 1.175 . . . . 0.0 108.836 174.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -131.24 126.5 35.64 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.74 135.84 49.75 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -129.41 126.53 39.01 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.992 0.917 . . . . 0.0 110.076 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.6 142.89 51.24 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.494 1.917 . . . . 0.0 113.522 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.11 121.93 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 120.982 -1.074 . . . . 0.0 109.674 174.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.9 ptp -119.34 115.77 24.82 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.679 1.192 . . . . 0.0 113.596 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 50.25 -72.79 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.213 2.605 . . . . 0.0 116.891 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -132.36 7.69 4.24 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.061 2.144 . . . . 0.0 112.173 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -133.26 170.44 15.44 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.591 -1.318 . . . . 0.0 109.684 -176.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -122.08 143.54 49.46 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.358 1.463 . . . . 0.0 109.247 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -121.98 130.17 53.08 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 126.781 2.033 . . . . 0.0 109.636 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -122.08 130.18 53.04 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 125.002 1.321 . . . . 0.0 109.299 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.89 142.69 36.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.1 0.952 . . . . 0.0 109.385 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.4 ttp -139.09 145.27 39.3 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 125.792 1.637 . . . . 0.0 109.321 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.76 105.42 3.12 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.23 1.812 . . . . 0.0 110.311 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.6 t -142.47 136.93 29.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.16 1.784 . . . . 0.0 110.137 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.1 tp -59.03 -34.12 71.54 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.275 1.03 . . . . 0.0 111.805 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.7 tp -96.64 -63.23 1.16 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 125.159 1.383 . . . . 0.0 111.25 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 69.8 m -64.45 -37.32 87.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -173.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.93 174.94 13.9 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 172.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.43 117.74 32.57 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.148 1.379 . . . . 0.0 110.35 174.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.67 157.21 44.57 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -150.38 137.76 19.63 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.325 1.05 . . . . 0.0 110.906 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -141.76 152.48 43.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.418 1.887 . . . . 0.0 111.911 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -136.5 133.39 36.46 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.486 -0.758 . . . . 0.0 110.577 174.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.2 mt -122.22 126.8 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.297 1.439 . . . . 0.0 110.769 -177.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.1 p -82.16 136.68 35.1 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.322 -0.861 . . . . 0.0 109.691 174.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -134.2 177.12 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 124.721 1.209 . . . . 0.0 112.675 -177.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 60.6 mt -141.54 162.96 44.22 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 126.773 2.029 . . . . 0.0 110.244 -177.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -61.64 -16.49 48.61 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 123.048 2.499 . . . . 0.0 113.467 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.35 -1.53 21.29 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.931 1.693 . . . . 0.0 113.02 174.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 26.1 t0 54.09 60.18 11.25 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 127.365 2.266 . . . . 0.0 114.938 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -70.84 -23.77 25.49 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.388 2.725 . . . . 0.0 113.81 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER 43.31 26.35 0.09 Allowed 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 128.461 2.705 . . . . 0.0 117.527 178.577 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 . . . . . 0 N--CA 1.473 0.701 0 C-N-CA 125.191 1.396 . . . . 0.0 113.621 -177.731 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.98 -35.17 1.05 Allowed Glycine 0 CA--C 1.531 1.072 0 C-N-CA 126.896 2.189 . . . . 0.0 111.401 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -66.24 -17.53 64.8 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.828 -0.807 . . . . 0.0 109.936 169.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 78.6 m -62.6 -26.95 68.87 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.962 1.705 . . . . 0.0 112.69 174.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 m -110.96 140.51 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 121.177 -0.952 . . . . 0.0 112.217 -174.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -65.31 -41.55 93.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.798 1.239 . . . . 0.0 110.368 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -132.79 140.97 48.25 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.953 2.101 . . . . 0.0 109.248 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -81.7 123.52 28.8 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.65 0.78 . . . . 0.0 109.043 175.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 46.88 60.24 15.2 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 124.808 1.243 . . . . 0.0 113.139 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -62.77 146.69 95.16 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.249 2.633 . . . . 0.0 111.389 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -77.91 145.7 36.01 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.242 -1.537 . . . . 0.0 109.394 175.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -119.21 28.46 8.22 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -174.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.04 44.15 96.47 Favored Glycine 0 CA--C 1.534 1.257 0 O-C-N 121.934 -0.479 . . . . 0.0 112.051 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 m120 67.88 23.68 8.31 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 126.59 1.956 . . . . 0.0 114.452 -179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.6 m -88.5 120.21 29.67 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 120.552 -1.343 . . . . 0.0 110.943 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.3 m -121.89 110.04 15.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.472 1.109 . . . . 0.0 110.589 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.0 mp -119.19 145.5 45.97 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.343 1.857 . . . . 0.0 113.577 -175.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.05 -4.44 49.46 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.511 1.924 . . . . 0.0 113.255 176.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -148.24 153.28 38.51 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.231 1.013 . . . . 0.0 112.823 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.83 -175.8 15.97 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.661 1.6 . . . . 0.0 114.42 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.1 m -151.14 118.82 6.11 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.58 2.352 . . . . 0.0 108.307 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -75.73 77.13 2.69 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -174.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.0 mt -52.73 -25.41 11.02 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.4 mt -75.12 -17.39 60.43 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.623 1.169 . . . . 0.0 113.063 176.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -104.47 -32.59 8.93 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.041 1.337 . . . . 0.0 110.013 175.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -65.73 105.1 1.18 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.84 0.745 . . . . 0.0 111.394 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.7 p -81.06 -4.83 56.56 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 121.072 -1.018 . . . . 0.0 112.851 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.03 148.94 20.84 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 125.914 1.721 . . . . 0.0 109.223 -175.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.46 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 8.3 t -53.28 165.55 0.34 Allowed 'General case' 0 C--O 1.239 0.539 0 C-N-CA 125.255 1.422 . . . . 0.0 114.099 -177.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -124.89 -11.24 7.17 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.337 1.055 . . . . 0.0 112.324 172.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.56 -34.94 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 119.742 1.155 . . . . 0.0 109.001 171.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 p -132.09 -14.94 3.0 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.39 23.38 0.29 Allowed 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -95.31 138.74 32.59 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 119.709 -1.869 . . . . 0.0 113.92 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -113.16 161.59 16.96 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.083 1.753 . . . . 0.0 109.592 174.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.264 4.1 p30 51.76 26.48 3.52 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.48 1.912 . . . . 0.0 115.038 -176.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -123.05 98.82 6.07 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 128.72 2.808 . . . . 0.0 111.093 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.14 149.81 16.17 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 176.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.37 165.93 18.82 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 131.101 3.76 . . . . 0.0 109.044 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.1 mt -127.52 134.38 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -149.13 177.43 9.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.689 0.796 . . . . 0.0 111.231 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.4 t30 57.91 18.18 4.83 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 124.836 1.255 . . . . 0.0 113.713 174.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -57.71 113.9 2.04 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.115 2.166 . . . . 0.0 112.508 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.9 m -107.54 156.09 19.39 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 125.802 1.641 . . . . 0.0 111.663 176.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -139.97 137.73 34.96 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.517 1.527 . . . . 0.0 109.852 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -132.07 146.64 52.19 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.288 1.835 . . . . 0.0 111.41 -178.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -139.3 116.42 11.06 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 117.912 0.324 . . . . 0.0 111.77 177.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.91 121.43 39.95 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.155 1.382 . . . . 0.0 113.364 173.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 45.18 20.78 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 118.439 2.755 . . . . 0.0 118.439 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.41 -20.93 9.43 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 126.133 1.825 . . . . 0.0 113.181 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -74.08 137.21 43.17 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.919 1.287 . . . . 0.0 108.876 174.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -118.04 129.86 55.82 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 125.427 1.491 . . . . 0.0 108.683 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.13 138.53 52.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 123.979 0.911 . . . . 0.0 109.499 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.45 118.1 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 124.716 1.207 . . . . 0.0 108.964 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -121.99 135.26 54.83 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.656 0.782 . . . . 0.0 111.641 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -153.31 -168.81 3.12 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.991 -1.068 . . . . 0.0 113.037 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -141.74 158.29 43.99 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.534 1.134 . . . . 0.0 110.073 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -108.21 139.21 43.22 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 172.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 mp -132.82 131.63 41.26 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 124.689 1.196 . . . . 0.0 110.28 -175.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.09 123.69 16.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.122 . . . . 0.0 111.245 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -62.6 -13.81 35.72 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 120.158 -1.589 . . . . 0.0 111.72 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -95.22 -66.48 0.91 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.403 1.081 . . . . 0.0 111.859 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.1 p -94.66 -5.58 45.28 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.312 69.5 m80 52.69 21.17 1.78 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.271 1.828 . . . . 0.0 115.067 -177.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.58 147.1 52.43 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 169.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.3 t -74.94 103.77 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.589 -0.695 . . . . 0.0 109.727 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.4 mt -60.68 -45.62 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.542 1.537 . . . . 0.0 110.997 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.49 164.46 24.39 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.758 1.223 . . . . 0.0 111.787 -176.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.3 142.15 45.15 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.312 1.445 . . . . 0.0 108.521 174.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -123.46 138.52 54.57 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.833 1.653 . . . . 0.0 111.677 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -138.86 131.51 28.99 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 124.496 1.118 . . . . 0.0 108.851 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -130.36 126.57 37.45 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 173.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.16 135.79 49.32 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -129.15 126.3 38.96 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.057 0.943 . . . . 0.0 110.002 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.38 142.89 51.31 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.626 1.971 . . . . 0.0 113.691 -176.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.24 121.92 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.117 -0.99 . . . . 0.0 109.822 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.43 115.74 24.71 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.652 1.181 . . . . 0.0 113.432 177.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 50.51 -74.18 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 128.169 2.587 . . . . 0.0 116.654 177.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -131.76 8.11 4.48 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.881 2.072 . . . . 0.0 112.199 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.9 170.34 15.02 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 120.61 -1.306 . . . . 0.0 109.524 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -123.17 143.6 49.9 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.09 1.356 . . . . 0.0 109.161 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -121.98 129.93 52.89 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 126.722 2.009 . . . . 0.0 109.759 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -121.54 130.03 53.27 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 125.019 1.328 . . . . 0.0 109.205 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.97 143.02 36.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.311 1.053 . . . . 0.0 109.391 177.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.1 ttp -138.82 144.55 39.36 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 125.769 1.628 . . . . 0.0 109.151 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.28 105.91 3.25 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.217 1.807 . . . . 0.0 110.119 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 37.7 t -141.87 136.36 30.45 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.284 1.834 . . . . 0.0 109.687 178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.92 -33.99 72.62 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.135 0.974 . . . . 0.0 111.855 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.4 tp -95.5 -63.41 1.16 Allowed 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.858 1.263 . . . . 0.0 111.226 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.1 m -64.67 -38.3 90.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -173.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.09 175.09 13.92 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 117.869 1.908 . . . . 0.0 117.869 173.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -113.82 117.82 32.53 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.316 1.447 . . . . 0.0 110.432 175.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.71 157.17 44.59 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.517 1.127 . . . . 0.0 113.668 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -150.26 137.71 19.73 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.392 1.077 . . . . 0.0 110.982 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -141.85 152.46 43.66 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.331 1.853 . . . . 0.0 111.67 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -135.68 135.73 40.32 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.323 -0.861 . . . . 0.0 110.714 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 9.8 mt -122.16 124.89 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.195 1.398 . . . . 0.0 110.497 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 p -83.75 130.88 34.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -132.94 174.54 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-O 122.433 1.111 . . . . 0.0 113.745 -175.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -129.5 161.08 61.07 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 127.56 2.344 . . . . 0.0 108.488 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -61.0 -18.79 59.81 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 122.813 2.342 . . . . 0.0 113.674 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.8 -5.35 47.87 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.612 1.565 . . . . 0.0 113.247 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.4 t0 52.87 78.58 0.39 Allowed Pre-proline 0 CA--C 1.556 1.176 0 C-N-CA 127.762 2.425 . . . . 0.0 114.053 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -72.99 -11.78 25.63 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 124.266 3.31 . . . . 0.0 117.154 -174.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? 43.54 64.34 1.27 Allowed 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.686 1.594 . . . . 0.0 113.343 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 . . . . . 0 N--CA 1.476 0.842 0 C-N-CA 125.333 1.453 . . . . 0.0 113.753 -178.391 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.84 -33.79 1.04 Allowed Glycine 0 CA--C 1.531 1.078 0 C-N-CA 126.864 2.173 . . . . 0.0 111.878 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.51 -19.41 65.91 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 117.905 0.853 . . . . 0.0 109.928 169.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.1 m -61.68 -25.94 67.72 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.161 1.784 . . . . 0.0 113.25 175.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.1 m -111.97 139.06 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.639 1.176 . . . . 0.0 111.636 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.85 -38.56 91.4 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.894 -1.129 . . . . 0.0 111.135 177.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -136.85 144.14 43.45 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.628 1.971 . . . . 0.0 109.435 175.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -81.8 124.97 30.11 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.032 0.933 . . . . 0.0 109.395 175.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 45.67 59.4 14.92 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 124.937 1.295 . . . . 0.0 113.477 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -62.89 144.54 93.53 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.418 2.745 . . . . 0.0 111.668 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -76.26 143.06 41.18 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.916 -1.115 . . . . 0.0 109.15 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.32 30.9 6.87 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -175.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.62 37.06 66.43 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.431 0.538 . . . . 0.0 113.152 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 83.4 7.13 0.71 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.8 2.84 . . . . 0.0 114.749 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.9 m -70.43 116.16 10.45 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 120.22 -1.55 . . . . 0.0 111.495 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.2 m -120.81 109.92 15.73 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.579 1.151 . . . . 0.0 110.257 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.1 mp -119.43 145.33 46.35 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.0 1.72 . . . . 0.0 113.491 -175.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.11 -6.29 42.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.295 1.838 . . . . 0.0 112.975 175.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -142.55 156.77 45.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.437 1.095 . . . . 0.0 113.649 -177.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.35 -166.54 13.34 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.513 1.53 . . . . 0.0 115.748 175.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 m -152.06 131.63 13.06 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.564 2.346 . . . . 0.0 108.118 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -87.76 75.87 8.88 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.59 -25.14 16.13 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.7 mt -72.39 -18.12 61.75 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.1 0.864 . . . . 0.0 112.984 175.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -103.27 -33.51 9.13 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.66 1.184 . . . . 0.0 110.056 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -66.05 111.03 3.17 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.483 0.583 . . . . 0.0 110.0 175.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.2 p -90.48 4.38 51.23 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.225 1.01 . . . . 0.0 112.191 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.46 150.87 27.64 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.477 1.513 . . . . 0.0 109.429 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 t -53.43 169.69 0.12 Allowed 'General case' 0 C--O 1.239 0.522 0 C-N-CA 125.542 1.537 . . . . 0.0 114.249 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -127.17 -11.75 5.81 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.411 171.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -73.67 -35.62 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 119.758 1.163 . . . . 0.0 109.081 171.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.2 p -131.08 -17.25 3.09 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 81.57 14.9 0.55 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -81.74 148.54 28.89 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.019 -1.676 . . . . 0.0 113.16 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -124.03 162.11 24.13 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.734 1.614 . . . . 0.0 109.806 175.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.284 4.0 p30 52.69 26.51 4.49 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.157 1.783 . . . . 0.0 114.964 -175.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -124.19 100.33 6.66 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 128.825 2.85 . . . . 0.0 111.613 -177.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.68 150.22 17.32 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 176.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.31 167.56 16.76 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 131.333 3.853 . . . . 0.0 110.086 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.8 mt -127.85 134.09 66.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 126.503 1.921 . . . . 0.0 107.081 175.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.64 173.41 12.77 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.663 0.785 . . . . 0.0 111.822 178.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.266 0.0 OUTLIER 56.87 12.22 1.12 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.58 2.352 . . . . 0.0 115.223 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -51.51 112.59 0.78 Allowed 'General case' 0 C--O 1.234 0.258 0 C-N-CA 127.729 2.412 . . . . 0.0 114.088 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.3 m -107.58 156.18 19.31 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.584 1.553 . . . . 0.0 112.642 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tt -139.5 137.77 35.79 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.833 1.653 . . . . 0.0 109.43 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -132.04 146.73 52.25 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 126.509 1.924 . . . . 0.0 111.184 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -138.86 116.25 11.2 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.77 0.319 . . . . 0.0 111.04 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -118.79 121.41 39.98 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.069 1.347 . . . . 0.0 113.093 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 45.03 20.31 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.274 0 N-CA-C 118.496 2.776 . . . . 0.0 118.496 171.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.45 -21.16 9.32 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 126.469 1.985 . . . . 0.0 113.357 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -74.53 137.28 42.34 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.313 1.445 . . . . 0.0 108.999 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -118.03 129.83 55.81 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.631 1.572 . . . . 0.0 108.791 176.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.49 139.68 49.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 123.963 0.905 . . . . 0.0 109.306 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.5 t -132.51 118.04 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.527 1.131 . . . . 0.0 108.521 177.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.3 p -122.06 134.25 54.78 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.891 0.876 . . . . 0.0 111.901 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -154.79 -170.59 3.56 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.128 -0.983 . . . . 0.0 113.164 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.7 158.21 44.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.899 1.279 . . . . 0.0 108.816 -178.01 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -111.88 140.99 46.08 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.165 1.386 . . . . 0.0 107.909 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mp -132.63 134.23 44.62 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.518 1.127 . . . . 0.0 110.958 -175.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.5 122.69 14.64 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.449 1.1 . . . . 0.0 110.428 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -62.32 -13.51 29.53 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.158 -1.589 . . . . 0.0 111.786 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -94.71 -68.2 0.81 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.503 1.121 . . . . 0.0 111.661 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.5 p -92.1 -6.27 51.19 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 73.0 m80 53.22 21.59 2.3 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.272 1.829 . . . . 0.0 115.04 -177.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.75 146.74 51.25 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.274 1.43 . . . . 0.0 107.488 169.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.5 t -75.61 105.73 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 121.521 -0.737 . . . . 0.0 109.927 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.12 -45.31 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.341 1.456 . . . . 0.0 111.095 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.53 167.33 21.55 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.562 1.145 . . . . 0.0 112.54 -175.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -114.76 140.75 48.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.756 1.623 . . . . 0.0 108.964 174.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -123.47 138.64 54.54 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 126.077 1.751 . . . . 0.0 112.354 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -139.76 132.03 28.26 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 124.506 1.122 . . . . 0.0 108.648 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -131.32 126.43 35.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 174.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.33 135.81 50.1 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -128.86 126.76 40.47 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.112 0.965 . . . . 0.0 110.014 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.99 142.89 51.11 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.464 1.906 . . . . 0.0 113.617 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -109.8 121.92 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 O-C-N 120.919 -1.113 . . . . 0.0 109.925 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.4 115.81 24.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.881 1.272 . . . . 0.0 114.213 177.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.0 t0 51.28 -68.7 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 128.605 2.762 . . . . 0.0 117.476 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -135.46 6.1 3.24 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.89 2.076 . . . . 0.0 112.055 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.09 171.29 13.81 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 120.697 -1.252 . . . . 0.0 109.837 -175.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -123.21 143.43 50.03 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 125.029 1.332 . . . . 0.0 109.29 176.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -121.18 130.45 53.71 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 126.899 2.08 . . . . 0.0 109.465 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -122.04 130.33 53.19 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 125.091 1.357 . . . . 0.0 109.189 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.9 142.27 36.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 122.039 0.924 . . . . 0.0 109.458 177.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.0 ttp -138.33 144.94 40.6 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 125.833 1.653 . . . . 0.0 109.461 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.91 105.1 3.06 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.056 1.742 . . . . 0.0 110.256 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.4 t -142.08 136.73 30.44 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.367 1.867 . . . . 0.0 110.077 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.9 tp -59.41 -34.13 72.08 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.123 0.969 . . . . 0.0 111.925 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 tp -96.31 -63.32 1.16 Allowed 'General case' 0 C--O 1.232 0.182 0 C-N-CA 125.027 1.331 . . . . 0.0 111.279 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 80.5 m -63.9 -38.26 90.42 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.894 0.878 . . . . 0.0 113.286 -173.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.16 175.63 14.15 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 117.338 1.695 . . . . 0.0 117.338 173.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -112.56 118.28 34.67 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.747 1.619 . . . . 0.0 110.355 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.77 157.24 44.52 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -150.55 137.75 19.41 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.165 0.986 . . . . 0.0 110.826 174.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -141.86 152.47 43.66 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.156 1.782 . . . . 0.0 111.718 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.03 133.25 37.25 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.819 -0.551 . . . . 0.0 110.59 175.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.7 mt -122.25 128.06 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.306 1.442 . . . . 0.0 111.118 -176.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.1 p -86.05 132.18 34.11 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.254 -0.904 . . . . 0.0 110.664 175.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.47 173.63 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.855 1.262 . . . . 0.0 113.227 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.8 mt -142.92 157.49 61.03 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 126.138 1.775 . . . . 0.0 110.568 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -65.47 -15.52 50.04 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.095 2.53 . . . . 0.0 113.124 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -75.7 2.36 12.23 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.341 1.857 . . . . 0.0 113.476 176.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.9 t0 55.18 66.85 3.55 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 126.471 1.908 . . . . 0.0 113.591 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -74.01 -12.2 23.66 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.817 3.011 . . . . 0.0 115.079 -177.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 50.0 42.57 24.81 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 126.315 1.846 . . . . 0.0 113.204 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 . . . . . 0 CA--C 1.539 0.549 0 C-N-CA 128.185 2.594 . . . . 0.0 113.412 -179.21 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.844 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.09 -35.33 1.08 Allowed Glycine 0 CA--C 1.532 1.116 0 C-N-CA 126.793 2.14 . . . . 0.0 111.339 -176.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -66.1 -18.58 65.44 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 117.91 0.855 . . . . 0.0 109.961 169.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 67.2 m -61.24 -27.7 68.64 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.229 1.811 . . . . 0.0 112.736 174.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 m -110.34 140.03 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.202 1.001 . . . . 0.0 111.751 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.71 -40.63 95.68 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.889 1.276 . . . . 0.0 110.415 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -134.72 141.51 46.52 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 127.107 2.163 . . . . 0.0 109.317 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -81.4 124.01 29.05 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.624 0.77 . . . . 0.0 109.117 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 46.77 60.34 14.96 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.746 1.218 . . . . 0.0 113.087 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -63.01 144.01 92.07 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.114 2.543 . . . . 0.0 111.291 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -77.0 143.74 39.18 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.491 -1.381 . . . . 0.0 109.458 175.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -116.12 30.86 7.08 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.97 12.03 10.11 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 126.125 1.822 . . . . 0.0 116.704 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 120.98 -0.31 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.121 1 C-N-CA 132.756 4.422 . . . . 0.0 115.689 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.0 m -68.48 117.01 9.69 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.852 -1.155 . . . . 0.0 112.623 -176.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.2 m -122.81 110.19 15.14 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.989 1.316 . . . . 0.0 110.379 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.75 149.23 43.58 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.945 1.698 . . . . 0.0 113.89 -175.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.23 1.96 39.44 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.261 2.224 . . . . 0.0 112.823 175.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -141.48 158.62 43.62 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.246 1.419 . . . . 0.0 113.152 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.94 -175.1 33.48 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 125.184 1.373 . . . . 0.0 116.051 175.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.6 m -146.2 123.24 11.41 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.98 2.512 . . . . 0.0 108.277 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -76.15 78.32 2.97 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -174.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 mt -53.3 -24.92 12.93 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -178.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.0 mt -74.31 -17.18 60.88 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.795 0.838 . . . . 0.0 112.943 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -105.56 -32.6 8.42 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.048 1.339 . . . . 0.0 110.083 176.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -65.64 104.93 1.11 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.958 0.799 . . . . 0.0 110.895 176.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.9 p -81.26 -5.95 58.34 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.392 -0.818 . . . . 0.0 112.394 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.29 150.08 21.63 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.408 1.956 . . . . 0.0 109.428 -176.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.455 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.7 t -52.42 163.74 0.39 Allowed 'General case' 0 C--O 1.238 0.499 0 C-N-CA 125.01 1.324 . . . . 0.0 114.215 -176.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -121.62 -10.87 8.73 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.234 1.014 . . . . 0.0 111.941 172.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.5 t -75.12 -35.08 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 119.546 1.066 . . . . 0.0 109.078 172.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.8 p -132.71 -13.03 2.94 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 80.48 18.87 0.56 Allowed 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -92.86 139.5 30.47 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 119.617 -1.927 . . . . 0.0 113.938 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -113.01 161.77 16.65 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 125.709 1.604 . . . . 0.0 110.087 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.261 4.1 p30 51.53 27.53 3.93 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 126.46 1.904 . . . . 0.0 115.296 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -122.51 99.26 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 128.471 2.708 . . . . 0.0 110.898 -178.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.62 150.86 19.75 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 177.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.96 165.94 19.29 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 131.399 3.879 . . . . 0.0 109.043 178.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.9 mt -128.48 134.98 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 125.942 1.697 . . . . 0.0 106.89 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.38 172.18 14.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.312 0.645 . . . . 0.0 111.771 178.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.279 0.0 OUTLIER 58.34 14.46 2.9 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.447 2.299 . . . . 0.0 115.275 178.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -51.59 112.41 0.75 Allowed 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 126.847 2.059 . . . . 0.0 113.241 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.2 m -107.53 156.09 19.38 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 125.463 1.505 . . . . 0.0 112.097 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.32 137.84 34.45 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.626 1.571 . . . . 0.0 110.069 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -131.67 146.68 52.31 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 126.485 1.914 . . . . 0.0 111.161 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.64 116.35 11.45 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.814 0.34 . . . . 0.0 110.867 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -118.96 121.45 39.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.351 1.46 . . . . 0.0 113.319 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 45.56 20.82 0.06 Allowed 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 118.38 2.733 . . . . 0.0 118.38 172.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.75 -21.11 9.82 Favored Glycine 0 N--CA 1.478 1.455 0 C-N-CA 126.272 1.891 . . . . 0.0 113.23 -177.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -75.12 136.6 41.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.011 1.324 . . . . 0.0 108.858 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -117.95 129.86 55.86 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 125.658 1.583 . . . . 0.0 108.683 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.62 139.49 50.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 123.885 0.874 . . . . 0.0 109.33 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.1 t -132.53 118.15 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 124.763 1.225 . . . . 0.0 108.895 177.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.0 p -121.95 134.76 54.83 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.61 0.764 . . . . 0.0 112.063 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -153.41 -170.58 3.64 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.65 158.17 44.16 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.256 1.423 . . . . 0.0 108.68 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -112.72 141.53 46.4 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.141 1.377 . . . . 0.0 108.156 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -132.7 134.67 45.1 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.696 1.198 . . . . 0.0 110.959 -176.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -59.66 122.26 13.67 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.608 1.163 . . . . 0.0 110.811 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -62.28 -13.22 26.16 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 120.014 -1.679 . . . . 0.0 111.667 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -95.87 -63.27 1.17 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.635 1.174 . . . . 0.0 112.477 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.1 p -99.04 -4.53 32.25 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.771 1.396 . . . . 0.0 114.771 -178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 70.9 m80 53.5 20.34 2.03 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 126.498 1.919 . . . . 0.0 115.237 -177.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.06 147.1 52.83 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 169.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 82.9 t -76.01 104.72 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 121.462 -0.774 . . . . 0.0 109.947 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.7 mt -61.75 -46.36 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.737 1.615 . . . . 0.0 111.417 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.68 168.7 21.22 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.472 1.109 . . . . 0.0 112.631 -175.161 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -117.16 140.15 49.88 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.97 1.708 . . . . 0.0 109.145 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.25 139.11 54.39 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.098 1.759 . . . . 0.0 112.611 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -140.15 130.84 25.75 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.523 1.129 . . . . 0.0 108.873 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -129.86 127.0 39.32 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 173.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.78 135.81 49.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -128.64 127.8 42.9 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.197 0.999 . . . . 0.0 110.005 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.8 142.91 50.83 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.462 1.905 . . . . 0.0 113.577 -176.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -109.92 121.88 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 O-C-N 120.946 -1.096 . . . . 0.0 109.609 174.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.48 115.87 24.93 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.64 1.176 . . . . 0.0 114.097 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.3 t0 51.68 -68.52 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 128.562 2.745 . . . . 0.0 117.388 175.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -135.87 5.81 3.12 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.851 2.06 . . . . 0.0 112.156 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.28 171.05 13.78 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 120.786 -1.196 . . . . 0.0 109.885 -175.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -122.51 143.47 49.69 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.133 1.373 . . . . 0.0 109.009 176.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -122.03 130.05 52.95 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 126.902 2.081 . . . . 0.0 109.63 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -122.3 129.31 52.05 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.939 1.296 . . . . 0.0 109.455 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.84 142.22 36.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 122.218 1.009 . . . . 0.0 109.594 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.2 ttp -137.88 145.76 42.55 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.778 1.631 . . . . 0.0 109.401 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tp -151.8 104.86 3.06 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.388 1.875 . . . . 0.0 110.163 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.8 t -142.19 136.83 30.33 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.293 1.837 . . . . 0.0 110.01 178.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.4 tp -59.1 -34.13 71.65 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.198 0.999 . . . . 0.0 111.824 176.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.2 tp -96.46 -62.77 1.22 Allowed 'General case' 0 C--O 1.232 0.134 0 C-N-CA 125.038 1.335 . . . . 0.0 111.256 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.8 m -64.83 -37.69 88.48 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -173.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.64 174.67 13.8 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 117.642 1.817 . . . . 0.0 117.642 172.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.18 116.59 30.04 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.079 1.351 . . . . 0.0 109.909 174.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.72 157.32 44.48 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -149.44 138.78 21.48 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.26 1.024 . . . . 0.0 111.174 176.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -141.77 152.42 43.75 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.174 1.79 . . . . 0.0 111.733 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.24 134.2 37.84 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.889 -0.507 . . . . 0.0 110.574 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.16 126.22 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.159 1.384 . . . . 0.0 110.618 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 p -83.68 133.03 34.83 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.386 -0.821 . . . . 0.0 109.68 174.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 pp -133.83 178.82 5.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 124.619 1.168 . . . . 0.0 113.616 -175.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 69.9 mt -139.61 162.19 52.55 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 127.355 2.262 . . . . 0.0 109.811 -178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -61.05 -18.3 57.06 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 123.096 2.531 . . . . 0.0 113.879 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -76.25 -0.35 22.01 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.717 1.607 . . . . 0.0 113.149 175.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 34.5 t70 51.05 60.3 14.84 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 127.343 2.257 . . . . 0.0 114.86 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.47 -25.34 35.48 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.027 2.485 . . . . 0.0 112.69 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 40.05 30.83 0.08 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 128.898 2.879 . . . . 0.0 116.732 177.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 128.811 2.844 . . . . 0.0 114.596 179.627 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.869 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.89 -34.63 1.04 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 127.047 2.261 . . . . 0.0 111.541 -177.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -66.05 -18.58 65.44 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.653 -0.91 . . . . 0.0 109.879 169.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.457 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 94.8 m -61.66 -26.87 68.28 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.847 1.659 . . . . 0.0 112.728 174.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.7 m -111.99 140.31 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.583 1.153 . . . . 0.0 112.182 -174.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -66.25 -37.73 86.21 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.855 -1.153 . . . . 0.0 111.413 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.58 143.73 41.68 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.541 1.936 . . . . 0.0 108.846 175.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -81.33 125.49 30.43 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.14 0.976 . . . . 0.0 109.452 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 45.67 59.66 14.62 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.946 1.298 . . . . 0.0 113.27 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -63.15 147.0 94.53 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.198 2.598 . . . . 0.0 111.361 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -78.95 144.28 34.96 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.176 -1.577 . . . . 0.0 109.448 175.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -119.64 31.41 6.57 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.89 36.94 68.08 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 123.382 0.515 . . . . 0.0 113.186 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 84.22 7.07 0.59 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 128.82 2.848 . . . . 0.0 114.739 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.7 m -69.49 118.49 12.44 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.296 -1.503 . . . . 0.0 111.584 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.7 m -122.99 109.84 14.62 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.65 1.18 . . . . 0.0 110.319 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.22 145.28 46.18 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.312 1.845 . . . . 0.0 113.685 -175.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.92 -6.85 38.19 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.816 2.047 . . . . 0.0 113.584 176.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -147.57 149.49 32.68 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.766 1.227 . . . . 0.0 111.705 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.09 -177.09 17.03 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.154 1.359 . . . . 0.0 114.624 177.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.5 m -151.96 116.46 5.06 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.574 2.35 . . . . 0.0 108.287 176.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.01 77.01 2.21 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 -174.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.6 mt -50.75 -31.07 15.63 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -177.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.4 mt -69.55 -20.44 63.68 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 177.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -100.56 -32.81 10.59 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.076 0.95 . . . . 0.0 109.904 174.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -66.07 110.6 3.01 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.252 0.549 . . . . 0.0 110.343 175.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.5 p -91.99 7.19 43.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.551 1.14 . . . . 0.0 112.484 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.66 149.19 24.89 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.919 1.247 . . . . 0.0 110.08 -176.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.457 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.0 t -53.19 167.49 0.18 Allowed 'General case' 0 C--O 1.238 0.481 0 C-N-CA 125.62 1.568 . . . . 0.0 114.218 -177.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.67 -12.41 6.04 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.269 172.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -72.99 -35.81 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 CA-C-N 119.889 1.222 . . . . 0.0 109.088 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.0 p -130.75 -16.05 3.38 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 81.55 16.11 0.5 Allowed 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -85.23 147.38 26.61 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.104 -1.622 . . . . 0.0 113.26 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -122.44 160.69 25.0 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.517 1.527 . . . . 0.0 110.146 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.273 3.9 p30 52.86 26.23 4.47 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.372 1.869 . . . . 0.0 114.691 -175.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -122.52 98.53 5.96 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 128.758 2.823 . . . . 0.0 111.254 -177.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.64 149.6 16.89 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 176.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.12 165.23 19.94 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 130.936 3.694 . . . . 0.0 109.561 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -125.76 132.2 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 125.645 1.578 . . . . 0.0 106.796 175.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.07 174.74 11.03 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.783 0.833 . . . . 0.0 110.73 177.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.3 t30 57.56 18.07 4.36 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 124.543 1.137 . . . . 0.0 113.485 174.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -60.84 109.92 1.19 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 127.542 2.337 . . . . 0.0 111.88 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.7 m -107.49 156.15 19.29 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.502 1.521 . . . . 0.0 112.12 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -138.49 137.81 37.48 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.573 1.549 . . . . 0.0 110.378 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -131.95 146.69 52.25 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 126.498 1.919 . . . . 0.0 111.536 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -138.92 116.31 11.2 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 117.855 0.298 . . . . 0.0 111.801 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.84 121.54 40.26 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.074 1.35 . . . . 0.0 113.185 173.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.7 t70 45.0 20.56 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 118.52 2.785 . . . . 0.0 118.52 172.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.63 -21.23 9.19 Favored Glycine 0 N--CA 1.479 1.504 0 C-N-CA 126.359 1.933 . . . . 0.0 113.07 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -74.23 136.32 42.73 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.989 1.316 . . . . 0.0 108.752 174.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -117.93 129.84 55.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.759 1.624 . . . . 0.0 108.624 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -122.89 138.22 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 124.164 0.986 . . . . 0.0 109.263 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.1 t -132.44 118.18 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.771 1.228 . . . . 0.0 109.069 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.5 p -122.04 132.97 54.78 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.649 0.78 . . . . 0.0 112.07 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -150.98 -168.16 3.03 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -141.71 158.36 43.91 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.895 1.278 . . . . 0.0 109.911 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -108.38 138.68 44.26 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 106.436 -1.691 . . . . 0.0 106.436 172.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -132.76 131.04 40.73 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.698 1.199 . . . . 0.0 110.241 -175.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.1 t -57.64 123.97 17.45 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.536 1.134 . . . . 0.0 111.137 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -62.92 -12.82 27.85 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 120.177 -1.577 . . . . 0.0 111.855 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -96.05 -66.29 0.92 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.388 1.075 . . . . 0.0 111.943 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.6 p -94.44 -5.75 45.56 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.308 64.8 m80 52.83 19.85 1.43 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 126.453 1.901 . . . . 0.0 114.964 -176.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.27 146.53 54.05 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 170.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.7 t -75.07 103.22 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 O-C-N 121.736 -0.602 . . . . 0.0 109.67 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.3 mt -60.08 -45.34 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.504 1.521 . . . . 0.0 110.909 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.96 164.78 23.1 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.704 1.201 . . . . 0.0 112.03 -176.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.01 145.3 37.25 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.372 1.469 . . . . 0.0 108.699 173.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -127.14 138.72 53.22 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.336 1.454 . . . . 0.0 112.073 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -139.55 132.96 30.13 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.573 1.149 . . . . 0.0 108.666 174.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -131.94 126.24 33.58 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 174.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.92 135.78 49.5 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -130.32 127.5 39.59 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.026 0.931 . . . . 0.0 110.349 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -126.2 142.81 51.38 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.861 2.064 . . . . 0.0 113.706 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.4 mt -114.34 121.46 66.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 171.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . 0.386 0.0 OUTLIER -119.96 121.05 38.12 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 174.55 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.5 t0 54.87 -67.93 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 128.719 2.807 . . . . 0.0 116.889 175.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -138.28 4.04 2.41 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.045 1.738 . . . . 0.0 112.652 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.39 173.38 11.14 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.675 1.125 . . . . 0.0 109.698 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -124.41 143.51 50.58 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 125.612 1.565 . . . . 0.0 109.091 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -122.64 130.93 53.53 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 127.798 2.439 . . . . 0.0 110.008 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -122.15 130.7 53.46 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 125.15 1.38 . . . . 0.0 109.09 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.86 143.1 36.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 122.209 1.004 . . . . 0.0 109.47 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 54.8 ttp -138.62 144.5 39.77 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 125.663 1.585 . . . . 0.0 109.017 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.08 105.05 3.19 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.143 1.777 . . . . 0.0 110.008 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.2 t -141.95 137.09 31.01 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 126.245 1.818 . . . . 0.0 109.906 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.09 -33.36 71.99 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.21 1.004 . . . . 0.0 112.04 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.5 tp -96.68 -63.02 1.18 Allowed 'General case' 0 C--O 1.232 0.153 0 C-N-CA 125.242 1.417 . . . . 0.0 111.314 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.4 m -64.47 -39.45 93.84 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.996 0.918 . . . . 0.0 112.883 -173.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.9 175.78 14.17 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 117.692 1.837 . . . . 0.0 117.692 173.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -113.32 117.89 33.07 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.249 1.42 . . . . 0.0 110.294 174.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.73 157.17 44.58 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -178.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -150.68 137.79 19.3 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.425 1.09 . . . . 0.0 111.139 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -141.73 152.51 43.89 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.261 1.825 . . . . 0.0 111.914 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -136.02 134.26 38.32 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.83 -0.544 . . . . 0.0 111.032 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.1 mt -122.21 127.26 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.665 1.586 . . . . 0.0 110.925 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.0 p -83.49 133.88 34.87 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.448 -0.782 . . . . 0.0 109.671 174.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -133.44 -178.28 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.252 1.021 . . . . 0.0 113.118 -176.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 72.5 mt -136.91 164.44 42.3 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 127.487 2.315 . . . . 0.0 109.715 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -60.34 -17.24 45.98 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 122.855 2.37 . . . . 0.0 113.855 177.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.89 -3.51 32.44 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.636 1.574 . . . . 0.0 112.949 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 39.8 t0 51.16 54.62 15.39 Favored Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 127.511 2.324 . . . . 0.0 114.922 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -75.52 -24.01 12.43 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.734 2.956 . . . . 0.0 115.44 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 46.33 35.81 2.97 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.816 2.046 . . . . 0.0 114.926 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 126.398 1.879 . . . . 0.0 113.222 -178.035 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.06 -35.04 1.07 Allowed Glycine 0 CA--C 1.532 1.145 0 C-N-CA 126.83 2.157 . . . . 0.0 111.318 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.0 -19.09 65.74 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.697 -0.884 . . . . 0.0 109.892 169.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.452 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 72.0 m -61.07 -27.6 68.47 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.239 1.816 . . . . 0.0 112.74 174.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 m -110.52 139.99 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.492 1.117 . . . . 0.0 111.781 -174.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.21 -40.77 94.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.856 1.263 . . . . 0.0 110.582 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -134.36 142.05 47.08 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 127.139 2.175 . . . . 0.0 109.31 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -81.98 124.17 29.53 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.562 0.745 . . . . 0.0 109.141 175.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 46.5 59.77 15.4 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.839 1.256 . . . . 0.0 113.237 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -63.03 145.95 94.4 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.289 2.659 . . . . 0.0 111.652 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -77.73 143.86 37.69 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 120.57 -1.331 . . . . 0.0 109.438 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -118.75 31.06 6.85 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -176.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.88 37.22 69.14 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 123.433 0.539 . . . . 0.0 113.025 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.51 7.03 0.7 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 128.78 2.832 . . . . 0.0 114.719 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.9 m -70.87 118.49 13.72 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.257 -1.527 . . . . 0.0 111.562 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.6 m -122.08 109.23 14.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.634 1.174 . . . . 0.0 110.266 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.9 mp -118.29 145.94 44.69 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.263 1.825 . . . . 0.0 113.527 -175.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.65 -7.71 40.03 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.238 1.815 . . . . 0.0 112.958 176.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -145.25 156.73 44.01 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.38 -168.28 12.97 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.984 1.754 . . . . 0.0 114.791 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.2 m -152.23 119.82 6.06 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.029 2.131 . . . . 0.0 108.134 177.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -74.95 77.79 2.17 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 115.994 1.849 . . . . 0.0 115.994 -174.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.4 mt -51.45 -29.51 16.45 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -177.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.4 mt -70.77 -19.56 62.7 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -101.83 -33.79 9.67 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.448 1.099 . . . . 0.0 109.483 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -65.78 108.99 2.29 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.652 0.66 . . . . 0.0 110.009 175.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.9 p -87.73 1.2 54.45 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.94 0.896 . . . . 0.0 112.19 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.0 150.58 26.45 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.803 1.668 . . . . 0.0 109.467 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.452 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.3 t -53.01 167.5 0.16 Allowed 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.386 1.474 . . . . 0.0 114.346 -177.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -125.45 -11.55 6.82 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.326 1.051 . . . . 0.0 112.163 171.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.5 t -74.47 -35.61 39.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 119.614 1.097 . . . . 0.0 109.022 172.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.6 p -131.74 -15.72 3.04 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 116.418 2.007 . . . . 0.0 116.418 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.08 16.37 0.55 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 116.261 1.948 . . . . 0.0 116.261 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -84.71 147.25 27.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 119.739 -1.851 . . . . 0.0 113.198 179.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -121.83 160.65 24.23 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 125.538 1.535 . . . . 0.0 110.107 175.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.263 4.0 p30 52.14 26.75 4.07 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.357 1.863 . . . . 0.0 115.087 -175.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -121.74 99.31 6.39 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 128.726 2.81 . . . . 0.0 111.199 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.69 150.16 19.03 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 177.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.21 167.38 16.94 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 131.405 3.882 . . . . 0.0 109.712 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.1 mt -128.18 133.93 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.332 1.853 . . . . 0.0 107.083 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -147.16 173.58 12.39 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.664 0.785 . . . . 0.0 111.801 178.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.267 0.0 OUTLIER 55.98 13.18 1.07 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.432 2.293 . . . . 0.0 115.355 179.438 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -53.75 113.82 1.33 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 128.066 2.546 . . . . 0.0 114.351 -177.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.3 m -107.51 156.19 19.25 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 125.517 1.527 . . . . 0.0 112.68 176.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 tt -138.73 137.82 37.11 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.062 1.745 . . . . 0.0 109.167 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -131.81 146.68 52.27 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 126.095 1.758 . . . . 0.0 111.003 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -138.77 116.15 11.19 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.952 0.406 . . . . 0.0 110.473 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -118.87 121.51 40.15 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.351 1.46 . . . . 0.0 113.388 174.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 46.23 20.83 0.09 Allowed 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 171.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.73 -20.87 9.92 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 126.16 1.838 . . . . 0.0 113.24 -177.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -75.71 137.15 40.44 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.736 1.214 . . . . 0.0 109.024 174.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -117.97 129.77 55.8 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.663 1.585 . . . . 0.0 108.712 176.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -124.84 140.07 49.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 O-C-N 121.42 -0.8 . . . . 0.0 109.439 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.5 t -132.47 118.07 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 124.546 1.138 . . . . 0.0 108.648 177.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -122.08 133.9 54.77 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.843 0.857 . . . . 0.0 111.886 177.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -155.76 -170.33 3.38 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.6 158.25 44.07 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.979 1.312 . . . . 0.0 108.956 -178.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -112.12 140.49 46.77 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.297 1.439 . . . . 0.0 108.084 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.3 mp -132.16 134.44 45.4 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.812 1.245 . . . . 0.0 111.022 -176.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -59.49 122.92 15.23 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.546 1.138 . . . . 0.0 110.711 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -62.67 -13.33 30.89 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.052 -1.655 . . . . 0.0 111.808 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -94.83 -67.46 0.85 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.418 1.087 . . . . 0.0 111.706 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.3 p -93.28 -5.96 48.58 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 72.4 m80 53.38 21.52 2.41 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.361 1.865 . . . . 0.0 115.023 -177.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.42 146.78 51.76 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.965 1.306 . . . . 0.0 107.592 169.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.5 t -75.74 105.47 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 121.598 -0.689 . . . . 0.0 109.929 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.5 mt -62.16 -46.01 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.591 1.556 . . . . 0.0 111.176 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.2 168.53 20.57 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.595 1.158 . . . . 0.0 112.744 -175.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -116.43 140.48 49.3 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.041 1.736 . . . . 0.0 109.147 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -124.32 139.18 54.15 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.007 1.723 . . . . 0.0 112.674 -176.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -139.38 131.96 28.8 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.697 1.199 . . . . 0.0 108.631 174.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -131.23 126.68 36.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 173.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.25 135.78 49.24 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -128.78 127.07 41.26 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.917 0.887 . . . . 0.0 110.179 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.88 142.95 51.13 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.52 1.928 . . . . 0.0 113.658 -176.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.02 122.0 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 O-C-N 121.056 -1.028 . . . . 0.0 109.922 174.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.43 115.83 24.89 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.728 1.211 . . . . 0.0 113.833 177.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 51.21 -68.88 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 128.534 2.734 . . . . 0.0 117.471 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -136.36 5.95 3.0 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.993 2.117 . . . . 0.0 112.11 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.44 170.44 14.68 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 120.879 -1.138 . . . . 0.0 109.613 -175.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -122.96 143.49 49.87 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.8 1.24 . . . . 0.0 109.332 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -121.25 130.6 53.75 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 126.934 2.094 . . . . 0.0 109.504 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -122.23 130.11 52.87 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 125.012 1.325 . . . . 0.0 109.235 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.91 142.71 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 122.173 0.987 . . . . 0.0 109.467 177.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.9 ttp -139.02 145.08 39.21 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 125.788 1.635 . . . . 0.0 109.371 177.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 tp -151.62 105.41 3.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.22 1.808 . . . . 0.0 110.286 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.2 t -142.64 137.13 29.77 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 126.23 1.812 . . . . 0.0 110.099 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.7 tp -59.19 -34.13 71.78 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.244 1.018 . . . . 0.0 111.785 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.2 tp -96.49 -63.33 1.15 Allowed 'General case' 0 C--O 1.232 0.161 0 C-N-CA 124.988 1.315 . . . . 0.0 111.276 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 74.6 m -64.29 -37.42 87.42 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -173.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.15 175.16 13.97 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 117.611 1.804 . . . . 0.0 117.611 172.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -113.77 117.02 30.31 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.288 1.435 . . . . 0.0 110.321 175.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.61 157.26 44.55 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -150.46 137.81 19.57 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.383 1.073 . . . . 0.0 110.974 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -141.79 152.5 43.8 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.189 1.796 . . . . 0.0 111.741 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.97 133.92 38.06 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.852 -0.53 . . . . 0.0 110.762 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.9 mt -122.23 125.96 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.172 1.389 . . . . 0.0 110.731 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.2 p -82.69 133.34 35.16 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.529 -0.732 . . . . 0.0 109.53 174.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.75 177.6 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.533 1.133 . . . . 0.0 113.331 -176.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 68.2 mt -139.63 160.92 59.34 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 126.785 2.034 . . . . 0.0 110.469 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -62.03 -17.17 54.62 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.162 2.575 . . . . 0.0 113.684 177.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -74.31 -2.16 23.9 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 125.636 1.574 . . . . 0.0 113.049 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 49.5 t0 52.79 56.79 14.92 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 127.003 2.121 . . . . 0.0 114.89 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.52 -26.1 14.42 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.921 2.414 . . . . 0.0 112.609 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 39.01 33.54 0.08 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 128.832 2.853 . . . . 0.0 116.444 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 . . . . . 0 N--CA 1.473 0.713 0 C-N-CA 128.47 2.708 . . . . 0.0 114.321 179.735 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.831 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.21 -35.04 1.1 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 126.831 2.158 . . . . 0.0 111.403 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.57 -17.77 65.0 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 117.978 0.889 . . . . 0.0 109.955 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.449 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 66.8 m -61.51 -27.97 68.98 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.053 1.741 . . . . 0.0 112.62 174.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.3 m -110.9 140.22 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.499 1.12 . . . . 0.0 111.578 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.16 -42.23 93.95 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 120.847 -1.158 . . . . 0.0 110.426 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -131.88 142.0 49.55 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.998 1.719 . . . . 0.0 109.69 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.06 124.66 29.38 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.004 0.922 . . . . 0.0 109.273 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 46.64 60.02 15.23 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 124.776 1.23 . . . . 0.0 113.248 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -62.86 145.27 94.59 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.302 2.668 . . . . 0.0 111.512 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -77.29 144.65 37.97 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.577 -1.327 . . . . 0.0 109.408 175.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -116.16 28.87 8.32 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -176.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.48 12.15 12.26 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 126.227 1.87 . . . . 0.0 116.378 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 121.22 -3.53 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.139 1 C-N-CA 132.776 4.43 . . . . 0.0 115.528 178.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.432 HG22 HD13 ' A' ' 18' ' ' LEU . 75.4 m -65.18 117.72 8.18 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.922 -1.111 . . . . 0.0 112.788 -176.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.9 m -123.18 109.59 14.19 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.868 1.267 . . . . 0.0 110.226 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.432 HD13 HG22 ' A' ' 16' ' ' THR . 6.6 mp -121.38 149.55 42.81 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.931 1.692 . . . . 0.0 113.93 -175.069 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.53 1.93 38.55 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.425 2.29 . . . . 0.0 112.726 175.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -141.38 158.97 43.17 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.349 1.46 . . . . 0.0 113.202 -177.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.88 -176.0 35.84 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.273 1.416 . . . . 0.0 115.987 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.5 m -146.01 122.5 11.04 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.873 2.469 . . . . 0.0 108.425 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -74.94 76.51 2.17 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.2 mt -51.77 -29.48 19.02 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.0 mt -70.19 -20.22 63.13 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.398 1.079 . . . . 0.0 113.229 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -101.68 -32.27 10.4 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.98 0.912 . . . . 0.0 110.35 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -66.17 109.71 2.73 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.141 0.495 . . . . 0.0 109.801 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.1 p -89.2 4.29 49.12 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.314 1.045 . . . . 0.0 112.199 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.12 149.82 26.25 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.526 1.536 . . . . 0.0 109.813 -175.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.449 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.5 t -53.62 167.82 0.21 Allowed 'General case' 0 C--O 1.239 0.509 0 C-N-CA 125.532 1.533 . . . . 0.0 114.218 -177.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.46 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -125.59 -11.56 6.74 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.277 1.031 . . . . 0.0 112.168 172.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.8 t -74.19 -35.39 40.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 119.735 1.152 . . . . 0.0 109.071 171.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 p -131.98 -14.76 3.06 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 116.505 2.039 . . . . 0.0 116.505 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 80.09 17.74 0.68 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -87.97 144.12 26.72 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 119.667 -1.895 . . . . 0.0 113.39 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -118.31 160.78 21.05 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.715 1.606 . . . . 0.0 110.206 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.265 4.0 p30 52.28 26.56 4.1 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.531 1.932 . . . . 0.0 115.023 -176.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -121.75 98.71 6.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 128.565 2.746 . . . . 0.0 111.143 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.75 150.92 19.57 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.45 165.98 18.78 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 131.364 3.866 . . . . 0.0 109.092 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.3 mt -128.58 134.8 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 125.92 1.688 . . . . 0.0 106.876 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.438 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.41 172.41 13.97 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.285 0.634 . . . . 0.0 111.778 178.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER 58.58 14.43 3.06 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.462 2.305 . . . . 0.0 115.151 178.921 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -51.72 112.06 0.7 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.839 2.055 . . . . 0.0 113.217 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.0 m -107.46 156.04 19.39 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.429 1.492 . . . . 0.0 112.13 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.17 137.85 34.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.679 1.591 . . . . 0.0 110.035 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -131.84 146.65 52.25 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 126.473 1.909 . . . . 0.0 111.029 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -138.5 116.27 11.49 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.865 0.364 . . . . 0.0 110.745 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -118.93 121.4 39.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.349 1.46 . . . . 0.0 113.247 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.2 t70 45.6 20.89 0.07 Allowed 'General case' 0 CA--C 1.559 1.293 0 N-CA-C 118.37 2.73 . . . . 0.0 118.37 172.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.69 -21.06 9.88 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.196 1.855 . . . . 0.0 113.203 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -75.03 136.95 41.2 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.015 1.326 . . . . 0.0 108.951 174.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -118.06 129.78 55.77 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.725 1.61 . . . . 0.0 108.554 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.408 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -124.0 139.33 50.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 123.865 0.866 . . . . 0.0 109.44 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.49 118.18 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 124.844 1.258 . . . . 0.0 108.887 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.0 p -122.08 135.07 54.77 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.505 0.722 . . . . 0.0 112.049 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -153.55 -170.8 3.7 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.67 158.13 44.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.16 1.384 . . . . 0.0 108.68 -178.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -112.78 141.32 46.72 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.082 1.353 . . . . 0.0 108.176 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.438 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.5 134.51 45.1 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.758 1.223 . . . . 0.0 110.896 -175.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.4 t -59.75 122.61 14.61 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.499 1.12 . . . . 0.0 110.738 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -62.23 -13.26 26.15 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 120.055 -1.653 . . . . 0.0 111.685 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -95.53 -65.8 0.95 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.712 1.205 . . . . 0.0 112.082 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.1 p -95.64 -5.25 42.85 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.303 73.0 m80 53.35 20.53 1.99 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.43 1.892 . . . . 0.0 115.226 -177.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.35 146.63 53.08 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 170.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.1 t -75.81 104.87 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 121.556 -0.715 . . . . 0.0 109.858 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.8 mt -61.75 -46.28 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.617 1.567 . . . . 0.0 111.315 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.84 168.59 21.1 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.573 1.149 . . . . 0.0 112.642 -175.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -117.04 140.06 49.94 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.952 1.701 . . . . 0.0 109.194 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.06 139.14 54.39 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.139 1.776 . . . . 0.0 112.614 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -140.17 131.27 26.36 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.552 1.141 . . . . 0.0 108.945 174.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -130.3 126.64 37.7 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 173.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.408 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -129.04 135.86 49.5 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -128.49 127.37 42.31 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.239 1.016 . . . . 0.0 110.021 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.92 142.89 51.13 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.524 1.93 . . . . 0.0 113.588 -176.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.9 mt -109.91 121.99 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 O-C-N 121.047 -1.033 . . . . 0.0 109.843 174.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.0 ptp -119.41 115.72 24.66 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.62 1.168 . . . . 0.0 113.508 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 50.11 -73.17 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 128.206 2.602 . . . . 0.0 116.916 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -131.75 7.23 4.41 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.922 2.089 . . . . 0.0 112.27 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -132.39 170.43 15.11 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 120.771 -1.206 . . . . 0.0 109.766 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -123.0 143.46 49.91 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 125.045 1.338 . . . . 0.0 109.25 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -121.55 131.04 53.91 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 126.9 2.08 . . . . 0.0 109.654 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -122.38 129.96 52.63 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 124.981 1.312 . . . . 0.0 109.079 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.94 142.66 36.39 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.927 0.87 . . . . 0.0 109.065 177.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.0 ttp -137.72 145.92 43.09 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 125.782 1.633 . . . . 0.0 109.362 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.51 105.2 3.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.374 1.87 . . . . 0.0 110.223 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.5 t -142.17 136.58 30.12 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 126.162 1.785 . . . . 0.0 110.035 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 tp -58.86 -34.28 71.42 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.166 0.986 . . . . 0.0 111.781 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.2 tp -96.09 -63.93 1.1 Allowed 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.049 1.34 . . . . 0.0 111.22 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 70.3 m -64.49 -36.5 84.4 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.167 0.987 . . . . 0.0 113.6 -172.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.99 174.0 13.63 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 117.899 1.92 . . . . 0.0 117.899 172.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -113.04 116.23 29.59 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.351 1.46 . . . . 0.0 110.027 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.7 157.3 44.5 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -149.47 138.89 21.52 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.349 1.06 . . . . 0.0 111.156 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -141.74 152.46 43.83 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.037 1.735 . . . . 0.0 111.616 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.32 134.36 37.86 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.733 -0.605 . . . . 0.0 110.579 174.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.1 mt -122.12 126.07 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.174 1.39 . . . . 0.0 110.721 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.469 0.489 0 O-C-N 121.642 -0.661 . . . . 0.0 109.76 174.536 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.83 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.14 -34.9 1.09 Allowed Glycine 0 CA--C 1.532 1.106 0 C-N-CA 126.843 2.163 . . . . 0.0 111.48 -176.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -66.86 -18.02 65.17 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.631 -0.923 . . . . 0.0 109.96 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.454 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 66.7 m -60.81 -28.91 69.14 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.873 1.669 . . . . 0.0 112.448 174.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.3 m -110.1 139.75 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.678 1.191 . . . . 0.0 111.895 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -64.77 -40.76 95.79 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.731 1.212 . . . . 0.0 110.641 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -133.81 141.72 47.56 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.013 2.125 . . . . 0.0 109.276 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -81.8 123.65 28.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.502 0.721 . . . . 0.0 109.116 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 47.17 59.97 15.73 Favored Pre-proline 0 N--CA 1.476 0.864 0 C-N-CA 124.7 1.2 . . . . 0.0 113.173 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -63.07 145.51 94.04 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.146 2.564 . . . . 0.0 111.495 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -77.73 143.7 37.82 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.568 -1.333 . . . . 0.0 109.444 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -115.99 30.86 7.08 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.95 12.33 10.77 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 126.17 1.843 . . . . 0.0 116.578 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 121.94 -3.73 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.092 1 C-N-CA 132.725 4.41 . . . . 0.0 115.614 178.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.419 HG22 HD13 ' A' ' 18' ' ' LEU . 86.5 m -64.75 116.98 6.83 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 120.904 -1.123 . . . . 0.0 112.731 -176.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.0 m -122.89 109.74 14.54 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.859 1.264 . . . . 0.0 110.212 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.419 HD13 HG22 ' A' ' 16' ' ' THR . 6.6 mp -121.26 149.33 43.03 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.989 1.716 . . . . 0.0 113.843 -175.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.17 0.89 38.45 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.313 2.245 . . . . 0.0 112.742 175.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -141.46 159.09 42.94 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.283 1.433 . . . . 0.0 113.205 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.92 -175.03 33.45 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.245 1.402 . . . . 0.0 115.956 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.8 m -146.53 122.28 10.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.844 2.457 . . . . 0.0 108.406 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -75.82 77.47 2.75 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.6 mt -51.5 -29.39 16.47 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 -177.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.1 mt -70.53 -19.99 62.86 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -101.34 -33.72 9.91 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.31 1.044 . . . . 0.0 109.498 174.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -65.63 109.42 2.39 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.653 -0.655 . . . . 0.0 110.097 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.9 p -90.57 6.64 42.85 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.208 1.003 . . . . 0.0 112.218 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.61 150.36 26.62 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.262 1.411 . . . . 0.0 109.798 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.6 t -53.36 168.7 0.14 Allowed 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.619 1.568 . . . . 0.0 114.255 -177.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.459 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.52 -11.63 6.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.227 171.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.3 t -74.14 -35.77 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 119.647 1.112 . . . . 0.0 109.026 171.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.3 p -131.35 -16.44 3.1 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.29 16.42 0.52 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -84.27 146.01 28.0 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 119.719 -1.863 . . . . 0.0 113.15 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -120.77 160.68 22.87 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.684 1.594 . . . . 0.0 110.117 175.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.26 26.66 4.13 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.387 1.875 . . . . 0.0 114.827 -176.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.2 98.91 6.15 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 128.829 2.851 . . . . 0.0 111.33 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.88 150.52 18.99 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 176.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.56 165.77 19.28 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 131.324 3.85 . . . . 0.0 109.322 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.0 mt -127.93 134.4 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.949 1.7 . . . . 0.0 106.879 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.444 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.46 172.77 13.42 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.38 0.672 . . . . 0.0 111.71 178.657 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.278 0.0 OUTLIER 57.92 15.76 3.28 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.305 2.242 . . . . 0.0 114.952 178.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -54.17 113.02 1.09 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.909 2.084 . . . . 0.0 113.643 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.0 m -107.5 156.11 19.33 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.367 1.467 . . . . 0.0 112.325 176.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -138.74 137.75 37.03 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.774 1.63 . . . . 0.0 109.707 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -132.03 146.63 52.19 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.53 1.932 . . . . 0.0 111.18 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -138.66 116.26 11.36 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -118.86 121.38 39.87 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.101 1.36 . . . . 0.0 113.066 175.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 45.05 20.35 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 118.507 2.78 . . . . 0.0 118.507 171.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.37 -21.34 9.31 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.388 1.947 . . . . 0.0 113.293 -176.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -74.53 136.94 42.15 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.19 1.396 . . . . 0.0 109.01 174.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -117.96 129.88 55.87 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.572 1.549 . . . . 0.0 108.771 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.412 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.65 139.71 49.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 123.911 0.884 . . . . 0.0 109.448 -178.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -132.44 118.13 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 124.885 1.274 . . . . 0.0 108.781 177.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.5 p -122.0 134.98 54.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.617 0.767 . . . . 0.0 112.09 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -154.34 -170.4 3.53 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.674 0.991 . . . . 0.0 113.674 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.61 158.22 44.11 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.053 1.341 . . . . 0.0 108.822 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -112.3 141.44 46.02 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.138 1.375 . . . . 0.0 108.165 176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.444 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.79 134.36 44.6 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.755 1.222 . . . . 0.0 111.06 -175.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.1 t -59.54 123.28 16.35 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.5 1.12 . . . . 0.0 110.699 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -62.84 -13.52 34.76 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.079 -1.638 . . . . 0.0 111.725 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -94.92 -67.76 0.84 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.433 1.093 . . . . 0.0 111.69 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.3 p -92.82 -6.04 49.74 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.301 73.3 m80 53.42 20.72 2.1 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.356 1.862 . . . . 0.0 115.166 -177.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.58 146.73 52.81 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.889 1.276 . . . . 0.0 107.604 169.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.4 t -75.7 105.07 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 121.585 -0.697 . . . . 0.0 109.902 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.3 mt -61.9 -45.91 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 125.513 1.525 . . . . 0.0 111.246 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.1 168.36 21.0 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.507 1.123 . . . . 0.0 112.691 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -116.49 140.26 49.56 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.961 1.704 . . . . 0.0 109.116 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.63 138.83 54.47 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.104 1.762 . . . . 0.0 112.651 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -139.81 131.2 26.85 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.528 1.131 . . . . 0.0 108.877 174.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -130.54 126.64 37.3 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 173.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.412 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -128.91 135.86 49.62 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -128.27 127.4 42.73 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.11 0.964 . . . . 0.0 109.811 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.31 142.93 50.99 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.478 1.911 . . . . 0.0 113.52 -176.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.9 mt -109.66 121.92 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 O-C-N 120.969 -1.082 . . . . 0.0 109.794 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.75 24.72 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.749 1.22 . . . . 0.0 114.218 177.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t0 51.6 -68.88 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.494 2.717 . . . . 0.0 117.333 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -135.44 6.0 3.24 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.881 2.072 . . . . 0.0 112.195 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.69 170.86 14.21 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.779 -1.201 . . . . 0.0 109.872 -175.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -122.29 143.48 49.59 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.961 1.304 . . . . 0.0 109.286 175.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -121.79 131.12 53.89 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 126.957 2.103 . . . . 0.0 109.575 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -122.45 130.08 52.7 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.98 1.312 . . . . 0.0 109.043 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.89 142.54 36.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.885 0.85 . . . . 0.0 109.13 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.4 ttp -137.57 145.74 43.22 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 125.863 1.665 . . . . 0.0 109.298 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.5 104.99 3.12 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.388 1.875 . . . . 0.0 110.14 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.3 t -142.33 136.84 30.09 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.178 1.791 . . . . 0.0 110.03 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.7 tp -58.99 -33.92 71.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.221 1.008 . . . . 0.0 111.797 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.0 tp -96.82 -63.29 1.15 Allowed 'General case' 0 C--O 1.233 0.204 0 C-N-CA 125.132 1.373 . . . . 0.0 111.288 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.33 -37.54 87.87 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.89 174.59 13.77 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 117.657 1.823 . . . . 0.0 117.657 172.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -113.24 115.96 29.02 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.272 1.429 . . . . 0.0 109.931 174.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.72 157.28 44.51 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -149.21 139.2 22.05 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.339 1.056 . . . . 0.0 111.062 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -141.7 152.49 43.92 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.076 1.75 . . . . 0.0 111.628 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.63 133.93 36.8 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.701 -0.624 . . . . 0.0 110.658 174.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.4 mt -122.25 126.33 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.225 1.41 . . . . 0.0 110.829 -177.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.4 p . . . . . 0 N--CA 1.47 0.572 0 O-C-N 121.362 -0.837 . . . . 0.0 109.9 174.726 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.81 -33.61 1.03 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 126.943 2.211 . . . . 0.0 111.881 -177.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.58 -18.14 65.2 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 118.069 0.934 . . . . 0.0 110.031 169.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.8 m -61.85 -27.42 68.77 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.837 1.655 . . . . 0.0 112.797 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 m -111.04 138.89 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.716 1.206 . . . . 0.0 111.805 -174.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -64.79 -37.95 89.34 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.998 -1.064 . . . . 0.0 111.268 177.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -137.25 143.96 42.51 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.618 1.967 . . . . 0.0 109.444 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -81.4 125.0 29.88 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.946 0.898 . . . . 0.0 109.379 175.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 45.99 59.65 14.99 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.896 1.279 . . . . 0.0 113.215 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -63.13 144.99 93.46 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.18 2.587 . . . . 0.0 111.549 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -76.96 143.76 39.25 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.471 -1.393 . . . . 0.0 109.462 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.27 31.09 6.78 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -175.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.79 39.6 77.61 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 123.428 0.537 . . . . 0.0 112.876 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 78.84 13.27 1.31 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 128.298 2.639 . . . . 0.0 114.624 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.407 HG22 HD13 ' A' ' 18' ' ' LEU . 97.7 m -76.46 117.98 18.67 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.325 -1.485 . . . . 0.0 111.152 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.1 m -122.26 110.05 15.22 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.7 1.2 . . . . 0.0 110.401 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.407 HD13 HG22 ' A' ' 16' ' ' THR . 5.9 mp -119.0 145.72 45.61 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.384 1.873 . . . . 0.0 113.941 -175.228 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.29 -3.73 40.03 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.994 2.118 . . . . 0.0 113.453 176.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -145.93 156.04 43.26 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.725 1.21 . . . . 0.0 112.381 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.46 -175.51 18.93 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.26 1.409 . . . . 0.0 115.232 176.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 m -149.08 119.23 7.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.821 2.448 . . . . 0.0 108.261 177.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.1 77.32 2.26 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -174.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 mt -51.2 -29.87 15.41 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.8 mt -70.77 -20.52 62.6 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 177.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -100.03 -33.62 10.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.964 0.905 . . . . 0.0 109.702 174.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -65.78 109.8 2.59 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.235 0.47 . . . . 0.0 110.013 175.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 p -91.12 7.53 40.1 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.317 1.047 . . . . 0.0 112.248 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.14 150.79 27.13 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 125.295 1.426 . . . . 0.0 109.63 -175.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.69 170.13 0.12 Allowed 'General case' 0 C--O 1.238 0.49 0 C-N-CA 125.692 1.597 . . . . 0.0 114.17 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.429 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.62 -11.65 5.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.41 171.48 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.1 t -73.34 -35.27 45.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 119.731 1.15 . . . . 0.0 108.979 171.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.5 p -131.7 -16.82 2.93 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t 81.75 15.19 0.52 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -83.51 145.28 29.0 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.003 -1.686 . . . . 0.0 113.195 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -119.51 161.04 21.25 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.685 1.594 . . . . 0.0 110.251 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.08 26.52 3.86 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.465 1.906 . . . . 0.0 114.914 -176.193 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.27 98.83 6.11 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 128.744 2.818 . . . . 0.0 111.228 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.62 150.16 19.14 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.69 165.75 18.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 131.162 3.785 . . . . 0.0 109.495 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.0 mt -127.44 133.58 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.07 1.748 . . . . 0.0 106.918 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.444 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -146.09 170.3 16.95 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.469 0.707 . . . . 0.0 111.304 178.542 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.273 0.0 OUTLIER 58.02 12.43 1.8 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.171 2.189 . . . . 0.0 115.141 179.261 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -51.89 109.6 0.38 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 127.176 2.191 . . . . 0.0 112.649 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.8 m -107.52 156.1 19.36 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.68 1.592 . . . . 0.0 112.397 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 tt -139.0 137.74 36.61 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.578 1.551 . . . . 0.0 110.072 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -131.44 146.62 52.34 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 126.586 1.954 . . . . 0.0 111.18 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.49 116.36 11.57 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.865 0.364 . . . . 0.0 110.774 175.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -118.98 121.41 39.86 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.473 1.509 . . . . 0.0 113.307 174.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.6 t70 45.48 20.99 0.06 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 118.406 2.743 . . . . 0.0 118.406 172.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.47 -21.04 10.07 Favored Glycine 0 N--CA 1.477 1.381 0 C-N-CA 126.338 1.923 . . . . 0.0 113.225 -177.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -75.17 136.64 41.03 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.955 1.302 . . . . 0.0 108.886 174.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -118.06 129.81 55.78 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 125.677 1.591 . . . . 0.0 108.66 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.91 139.95 48.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 123.897 0.879 . . . . 0.0 109.387 -177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.1 t -132.56 118.05 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 124.975 1.31 . . . . 0.0 108.667 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.7 p -121.9 135.18 54.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.485 0.714 . . . . 0.0 111.623 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -153.22 -172.08 4.13 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.76 158.17 44.13 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.901 1.281 . . . . 0.0 108.596 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -113.5 140.52 48.05 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.058 1.343 . . . . 0.0 108.023 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.444 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.39 134.13 44.78 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.678 1.191 . . . . 0.0 111.07 -175.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.3 t -59.57 123.24 16.22 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.436 1.094 . . . . 0.0 110.701 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -62.69 -13.46 32.49 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 120.074 -1.641 . . . . 0.0 111.697 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -94.89 -68.14 0.82 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.442 1.097 . . . . 0.0 111.668 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.44 -6.2 50.42 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.301 73.1 m80 53.56 20.39 2.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.339 1.856 . . . . 0.0 115.126 -177.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.47 146.63 52.99 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.978 1.311 . . . . 0.0 107.558 170.03 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.6 t -75.73 104.76 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 121.573 -0.704 . . . . 0.0 109.885 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.1 -45.68 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.526 1.531 . . . . 0.0 111.185 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.62 168.15 20.31 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.514 1.126 . . . . 0.0 112.583 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.58 140.28 49.56 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.925 1.69 . . . . 0.0 109.117 174.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.03 139.6 53.9 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.154 1.781 . . . . 0.0 112.721 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -140.2 132.45 28.2 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.548 1.139 . . . . 0.0 108.844 174.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -131.68 126.2 34.0 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 173.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.76 135.85 49.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -128.68 127.63 42.52 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.195 0.998 . . . . 0.0 110.095 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.65 142.88 50.89 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.482 1.913 . . . . 0.0 113.578 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -109.81 121.91 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 O-C-N 121.091 -1.006 . . . . 0.0 109.952 174.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.42 115.71 24.65 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.846 1.258 . . . . 0.0 114.214 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 t0 51.48 -69.16 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 128.499 2.72 . . . . 0.0 117.35 175.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -135.04 6.16 3.35 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.903 2.081 . . . . 0.0 112.169 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.28 171.18 14.03 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.914 -1.116 . . . . 0.0 109.929 -175.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -123.07 143.43 49.97 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.107 1.363 . . . . 0.0 109.219 176.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -121.23 130.0 53.47 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 126.86 2.064 . . . . 0.0 109.518 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -121.94 129.41 52.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 124.89 1.276 . . . . 0.0 109.326 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.93 141.49 36.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 122.094 0.95 . . . . 0.0 109.683 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.0 ttp -137.85 145.25 41.99 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 125.805 1.642 . . . . 0.0 109.388 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.74 105.24 3.11 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.221 1.808 . . . . 0.0 110.357 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.6 t -142.34 136.93 30.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.173 1.789 . . . . 0.0 110.132 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 tp -59.13 -34.36 71.96 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.288 1.035 . . . . 0.0 111.808 176.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.6 tp -96.32 -63.18 1.17 Allowed 'General case' 0 C--O 1.233 0.208 0 C-N-CA 125.055 1.342 . . . . 0.0 111.206 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.2 m -64.56 -37.66 88.34 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 123.887 0.875 . . . . 0.0 113.355 -173.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.32 174.9 13.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 117.652 1.821 . . . . 0.0 117.652 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.47 117.44 31.7 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.151 1.381 . . . . 0.0 110.139 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.61 157.26 44.55 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -150.37 137.76 19.64 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.349 1.059 . . . . 0.0 111.041 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -141.74 152.48 43.85 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.084 1.754 . . . . 0.0 111.77 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.92 132.86 37.02 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.963 -0.461 . . . . 0.0 110.536 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.8 mt -122.25 127.26 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.265 1.426 . . . . 0.0 110.942 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.468 0.465 0 O-C-N 121.31 -0.868 . . . . 0.0 110.017 173.963 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.62 -34.15 1.0 Allowed Glycine 0 CA--C 1.531 1.08 0 C-N-CA 127.006 2.241 . . . . 0.0 111.648 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -65.61 -18.86 65.64 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.741 -0.858 . . . . 0.0 109.87 169.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.61 -25.22 67.99 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.03 1.732 . . . . 0.0 113.039 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 m -112.28 138.88 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.213 1.005 . . . . 0.0 112.097 -174.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -64.59 -39.33 93.53 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.636 1.174 . . . . 0.0 111.039 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -135.84 143.25 45.02 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.592 1.957 . . . . 0.0 109.534 175.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.45 123.97 29.04 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.907 0.883 . . . . 0.0 109.308 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 47.22 59.96 15.76 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 124.88 1.272 . . . . 0.0 113.379 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -62.53 146.31 95.47 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.52 2.813 . . . . 0.0 111.598 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -78.68 144.93 34.9 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.358 -1.464 . . . . 0.0 109.47 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -117.25 29.46 7.88 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -176.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.81 13.65 13.68 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.952 1.739 . . . . 0.0 116.445 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 119.55 -2.89 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.14 1 C-N-CA 132.494 4.317 . . . . 0.0 115.745 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.4 m -64.49 117.65 7.65 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.961 -1.087 . . . . 0.0 112.844 -176.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 67.5 m -123.6 108.82 13.02 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.906 1.282 . . . . 0.0 110.214 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -120.37 146.47 46.13 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.052 1.741 . . . . 0.0 113.48 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -96.62 -0.18 48.98 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.757 1.223 . . . . 0.0 113.511 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -146.96 156.59 43.18 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.617 1.567 . . . . 0.0 111.803 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.36 -178.72 18.72 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.113 1.339 . . . . 0.0 114.678 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.7 m -150.16 119.33 6.77 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.435 2.294 . . . . 0.0 108.5 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -76.26 77.03 3.05 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 -174.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.9 mt -51.38 -29.63 16.27 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.3 mt -70.51 -20.06 62.86 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.667 1.187 . . . . 0.0 113.39 176.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -101.29 -34.18 9.74 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.111 0.964 . . . . 0.0 109.811 174.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -64.95 110.49 2.47 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.757 -0.589 . . . . 0.0 110.357 176.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.1 p -88.25 0.1 56.51 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.281 1.032 . . . . 0.0 112.245 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.59 150.06 24.85 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.95 1.738 . . . . 0.0 109.531 -175.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.6 t -53.15 167.07 0.19 Allowed 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.437 1.495 . . . . 0.0 114.095 -177.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.438 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -125.71 -10.88 6.73 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.253 1.021 . . . . 0.0 112.242 172.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -74.09 -35.46 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 119.701 1.137 . . . . 0.0 109.04 171.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.7 p -131.74 -14.81 3.14 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t 80.71 17.53 0.57 Allowed 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -87.24 143.88 27.07 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.044 -1.66 . . . . 0.0 113.365 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -117.29 161.09 20.06 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.614 1.566 . . . . 0.0 109.861 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.267 3.8 p30 52.51 25.58 3.69 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 126.31 1.844 . . . . 0.0 115.076 -176.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -121.54 99.4 6.45 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 128.763 2.825 . . . . 0.0 111.155 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.02 149.09 13.94 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 176.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.35 165.04 19.75 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 130.899 3.68 . . . . 0.0 109.055 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -125.89 134.24 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 175.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.456 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -149.27 175.52 11.33 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.477 0.711 . . . . 0.0 110.891 177.606 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t30 59.15 18.44 6.48 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.668 1.187 . . . . 0.0 113.363 174.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -58.28 113.67 2.06 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.712 2.005 . . . . 0.0 111.889 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.6 m -107.4 156.07 19.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.958 1.703 . . . . 0.0 111.626 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -140.12 137.82 34.78 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.296 1.439 . . . . 0.0 110.539 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -132.06 146.67 52.21 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 126.663 1.985 . . . . 0.0 111.285 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -139.15 116.3 11.05 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.897 0.38 . . . . 0.0 111.329 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -118.86 121.5 40.16 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.362 1.465 . . . . 0.0 113.248 174.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t70 44.82 21.19 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 118.54 2.793 . . . . 0.0 118.54 172.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.76 -20.41 10.05 Favored Glycine 0 N--CA 1.477 1.397 0 C-N-CA 126.231 1.872 . . . . 0.0 113.247 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -75.34 136.78 40.81 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.093 1.357 . . . . 0.0 108.93 174.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -117.91 130.0 55.97 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.607 1.563 . . . . 0.0 108.659 176.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.44 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.8 139.32 50.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 123.875 0.87 . . . . 0.0 109.529 -178.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.39 118.16 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.985 1.314 . . . . 0.0 109.292 177.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.5 p -121.95 134.92 54.84 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.514 0.726 . . . . 0.0 111.879 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -152.35 -168.79 3.16 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.011 -1.055 . . . . 0.0 113.391 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -141.73 158.24 44.05 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.531 1.132 . . . . 0.0 109.709 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -108.52 139.01 43.88 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.456 ' CD1' HG22 ' A' ' 42' ' ' THR . 5.6 mp -132.87 129.28 38.22 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.506 1.123 . . . . 0.0 110.299 -175.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.0 t -56.42 123.69 15.56 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.53 1.132 . . . . 0.0 111.159 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -63.04 -12.62 27.63 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.228 -1.545 . . . . 0.0 111.722 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -96.3 -67.0 0.87 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.312 1.045 . . . . 0.0 111.631 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.2 p -93.84 -5.74 47.38 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 63.7 m80 52.63 20.48 1.54 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.302 1.841 . . . . 0.0 115.018 -176.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 146.19 53.47 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 169.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.8 t -74.64 104.96 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 O-C-N 121.678 -0.639 . . . . 0.0 109.745 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.3 mt -61.03 -45.58 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.377 1.471 . . . . 0.0 110.684 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.75 164.54 23.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.802 1.241 . . . . 0.0 112.131 -176.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -110.44 143.6 40.49 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.28 1.432 . . . . 0.0 108.66 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -125.06 138.27 54.2 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.862 1.665 . . . . 0.0 111.848 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -137.76 132.07 32.18 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.742 1.217 . . . . 0.0 108.863 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -131.39 125.71 33.31 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.44 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -128.46 135.77 49.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.965 0.888 . . . . 0.0 108.675 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -128.57 126.2 39.83 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.017 0.927 . . . . 0.0 110.175 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.01 142.93 51.43 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.516 1.926 . . . . 0.0 113.656 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.2 122.36 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 O-C-N 121.022 -1.049 . . . . 0.0 110.194 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.72 24.66 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.937 1.295 . . . . 0.0 113.434 177.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 51.74 -71.41 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 128.354 2.661 . . . . 0.0 116.708 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -136.31 8.16 3.14 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.764 2.026 . . . . 0.0 111.963 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.03 170.46 13.96 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.95 -1.094 . . . . 0.0 109.159 -175.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.17 143.43 50.51 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 125.007 1.323 . . . . 0.0 109.287 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -121.43 129.28 52.9 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.393 1.877 . . . . 0.0 109.215 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -120.96 128.88 53.15 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 125.01 1.324 . . . . 0.0 109.133 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.88 142.45 36.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 122.02 0.914 . . . . 0.0 109.183 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 ttp -137.05 145.65 44.27 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 125.628 1.571 . . . . 0.0 109.298 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tp -150.84 105.36 3.26 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.352 1.861 . . . . 0.0 110.108 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.7 t -142.12 136.89 30.52 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.291 1.837 . . . . 0.0 109.724 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.4 tp -59.91 -34.45 73.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.218 1.007 . . . . 0.0 111.8 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.9 tp -95.38 -63.82 1.12 Allowed 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 124.911 1.284 . . . . 0.0 111.303 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.1 m -64.72 -37.2 86.79 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 124.161 0.985 . . . . 0.0 113.468 -173.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.12 175.19 13.98 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 118.094 1.998 . . . . 0.0 118.094 172.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -113.18 116.68 30.2 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 125.354 1.462 . . . . 0.0 109.797 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.65 157.27 44.53 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.226 1.011 . . . . 0.0 113.712 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -150.18 139.04 20.89 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.258 1.023 . . . . 0.0 111.532 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.77 152.39 43.72 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.289 1.836 . . . . 0.0 111.785 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.91 134.37 38.66 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.736 -0.603 . . . . 0.0 110.511 174.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.1 mt -122.26 127.74 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.062 1.345 . . . . 0.0 110.841 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.7 p . . . . . 0 N--CA 1.47 0.568 0 O-C-N 121.421 -0.799 . . . . 0.0 108.903 173.17 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.74 -34.24 1.02 Allowed Glycine 0 CA--C 1.531 1.045 0 C-N-CA 126.967 2.223 . . . . 0.0 111.831 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.53 -18.74 65.55 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 121.698 -0.883 . . . . 0.0 109.982 169.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.4 m -62.57 -25.59 68.15 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.268 1.827 . . . . 0.0 113.056 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.3 m -111.37 138.73 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.118 0.967 . . . . 0.0 111.865 -174.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -64.83 -40.38 95.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.905 1.282 . . . . 0.0 110.334 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 11' ' ' PRO . 28.5 mtmm -135.37 139.1 43.97 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.741 2.016 . . . . 0.0 108.911 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -81.09 125.26 29.99 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.634 0.774 . . . . 0.0 109.367 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 45.51 59.55 14.56 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 124.884 1.274 . . . . 0.0 113.051 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 67.1 Cg_endo -63.12 143.49 90.39 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.241 2.627 . . . . 0.0 111.785 -178.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -76.61 143.23 40.33 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 120.502 -1.374 . . . . 0.0 109.401 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.04 31.21 6.75 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -175.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.99 37.05 69.21 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 123.46 0.552 . . . . 0.0 113.073 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 84.08 6.83 0.62 Allowed 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 128.816 2.847 . . . . 0.0 114.659 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.406 HG22 HD13 ' A' ' 18' ' ' LEU . 95.7 m -70.36 117.25 11.66 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 120.257 -1.527 . . . . 0.0 111.524 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.9 m -121.69 109.8 15.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.543 1.137 . . . . 0.0 110.266 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.406 HD13 HG22 ' A' ' 16' ' ' THR . 6.0 mp -119.25 145.4 46.1 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.186 1.794 . . . . 0.0 113.598 -175.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.97 -4.56 46.47 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.619 1.967 . . . . 0.0 113.228 176.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -147.35 154.98 41.56 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.261 1.024 . . . . 0.0 112.871 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.83 -176.04 16.85 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.655 1.597 . . . . 0.0 114.563 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.3 m -148.77 118.54 7.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.623 2.369 . . . . 0.0 108.046 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -74.85 77.59 2.12 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -173.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.7 mt -52.46 -29.4 24.49 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.1 mt -71.04 -13.46 61.99 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -110.9 -29.02 8.11 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.167 1.387 . . . . 0.0 110.397 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -67.88 111.2 4.21 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.141 0.882 . . . . 0.0 109.934 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.5 p -87.2 -3.77 59.07 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.824 0.85 . . . . 0.0 112.531 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.86 148.58 20.5 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.943 1.735 . . . . 0.0 109.119 -174.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.4 t -52.72 167.77 0.14 Allowed 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.662 1.585 . . . . 0.0 114.091 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.45 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -125.73 -11.6 6.66 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.311 172.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.7 t -74.0 -35.34 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 119.713 1.142 . . . . 0.0 109.158 171.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.0 p -131.68 -15.65 3.07 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 80.32 17.04 0.67 Allowed 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -84.42 147.27 27.21 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 119.772 -1.83 . . . . 0.0 112.91 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -122.97 160.89 25.29 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.041 1.737 . . . . 0.0 109.881 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.259 4.2 p30 50.93 27.48 3.21 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 126.356 1.862 . . . . 0.0 115.072 -175.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -123.19 100.72 7.0 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 128.708 2.803 . . . . 0.0 111.564 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.34 150.21 17.92 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 176.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.37 167.52 16.08 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 131.218 3.807 . . . . 0.0 108.938 178.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 88.1 mt -129.88 136.44 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.929 1.691 . . . . 0.0 106.97 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.437 HG22 HD11 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -148.91 173.76 12.97 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.313 0.645 . . . . 0.0 111.611 178.717 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.281 0.0 OUTLIER 57.59 14.61 2.41 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.414 2.286 . . . . 0.0 115.441 178.93 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -50.68 111.46 0.55 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.847 2.059 . . . . 0.0 112.901 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.3 m -107.44 155.96 19.47 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.822 1.649 . . . . 0.0 111.834 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -141.38 137.77 32.54 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.555 1.542 . . . . 0.0 110.135 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -131.48 146.63 52.33 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.53 1.932 . . . . 0.0 111.113 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -138.73 116.31 11.34 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -118.95 121.41 39.87 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.422 1.489 . . . . 0.0 113.382 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t70 45.69 20.91 0.07 Allowed 'General case' 0 CA--C 1.559 1.298 0 N-CA-C 118.427 2.751 . . . . 0.0 118.427 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.54 -20.81 10.1 Favored Glycine 0 N--CA 1.477 1.411 0 C-N-CA 126.316 1.912 . . . . 0.0 113.163 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -75.56 136.74 40.53 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.934 1.293 . . . . 0.0 108.822 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -118.08 129.9 55.82 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.912 1.685 . . . . 0.0 108.516 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.67 138.94 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 123.805 0.842 . . . . 0.0 109.188 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.6 t -132.38 118.14 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 124.776 1.23 . . . . 0.0 108.993 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.5 p -122.03 134.88 54.8 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.594 0.758 . . . . 0.0 111.844 177.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -153.53 -171.66 3.98 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.079 -1.013 . . . . 0.0 113.192 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.66 158.19 44.13 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.703 1.201 . . . . 0.0 108.997 -178.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -112.29 141.05 46.47 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.184 1.394 . . . . 0.0 108.092 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.437 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.56 134.62 45.19 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.615 1.166 . . . . 0.0 111.174 -175.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.8 t -59.75 123.91 18.47 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.385 1.074 . . . . 0.0 110.641 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -63.12 -13.47 36.92 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.15 -1.594 . . . . 0.0 111.71 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -94.84 -68.72 0.79 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.463 1.105 . . . . 0.0 111.613 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.8 p -91.53 -6.55 52.3 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.298 73.1 m80 53.41 21.13 2.25 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.326 1.85 . . . . 0.0 114.974 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.95 147.06 52.19 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.111 1.364 . . . . 0.0 107.576 169.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.9 t -75.65 105.13 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.622 -0.674 . . . . 0.0 110.032 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.2 mt -61.29 -45.63 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 125.622 1.569 . . . . 0.0 111.124 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.66 167.8 20.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.566 1.146 . . . . 0.0 112.439 -175.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -115.5 140.72 48.9 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.861 1.664 . . . . 0.0 109.179 174.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.05 139.33 54.19 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.13 1.772 . . . . 0.0 112.37 -177.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -139.59 132.94 30.04 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.592 1.157 . . . . 0.0 108.677 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -132.0 125.96 32.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.58 135.81 49.87 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -129.87 127.47 40.27 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.091 0.956 . . . . 0.0 110.469 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -126.22 142.79 51.39 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.918 2.087 . . . . 0.0 113.733 -177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.5 mt -114.48 121.47 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 171.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . 0.379 0.0 OUTLIER -119.87 121.28 38.71 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 174.475 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 53.87 -70.05 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 128.734 2.814 . . . . 0.0 116.804 176.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -137.39 5.51 2.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.128 1.771 . . . . 0.0 112.577 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -132.18 173.5 11.18 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.791 1.178 . . . . 0.0 109.543 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -125.12 143.43 50.93 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.681 1.592 . . . . 0.0 108.799 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -122.83 130.86 53.4 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 127.611 2.364 . . . . 0.0 109.932 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -121.74 130.66 53.59 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 125.127 1.371 . . . . 0.0 109.068 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.88 143.11 36.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 122.212 1.006 . . . . 0.0 109.494 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.8 ttp -138.11 145.32 41.5 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 125.696 1.598 . . . . 0.0 109.2 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 tp -151.9 105.36 3.1 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.152 1.781 . . . . 0.0 110.186 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.7 t -142.41 136.68 29.78 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 126.334 1.854 . . . . 0.0 109.941 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.75 -34.35 72.85 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.142 0.977 . . . . 0.0 111.954 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.5 tp -94.76 -62.42 1.32 Allowed 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.879 1.272 . . . . 0.0 111.341 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 79.9 m -66.01 -39.24 90.08 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.237 1.015 . . . . 0.0 113.543 -172.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.69 174.45 13.68 Favored Glycine 0 C--N 1.336 0.582 0 N-CA-C 118.063 1.985 . . . . 0.0 118.063 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.87 117.96 32.87 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.178 1.391 . . . . 0.0 110.232 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.75 157.24 44.53 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -150.12 137.79 19.95 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.359 1.064 . . . . 0.0 111.035 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -141.78 152.42 43.74 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.281 1.832 . . . . 0.0 111.939 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -135.41 134.87 40.13 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.894 -0.504 . . . . 0.0 111.112 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.3 mt -122.28 127.56 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.503 1.521 . . . . 0.0 110.814 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.47 0.536 0 O-C-N 121.5 -0.75 . . . . 0.0 109.725 174.711 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.83 -33.77 1.03 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 126.853 2.168 . . . . 0.0 111.871 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.3 -18.44 65.35 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 118.058 0.929 . . . . 0.0 110.064 169.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.53 -27.5 68.65 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.852 1.661 . . . . 0.0 112.91 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 m -111.12 138.92 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.701 1.2 . . . . 0.0 111.754 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.8 -38.01 89.55 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.854 -1.154 . . . . 0.0 111.195 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -137.19 143.84 42.56 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.56 1.944 . . . . 0.0 109.396 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.44 124.77 29.72 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.954 0.902 . . . . 0.0 109.365 175.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 46.14 59.89 14.86 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 124.915 1.286 . . . . 0.0 113.213 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -63.17 145.37 93.48 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.167 2.578 . . . . 0.0 111.639 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -77.73 143.73 37.81 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.587 -1.32 . . . . 0.0 109.604 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.02 31.06 6.83 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -175.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.0 36.82 68.5 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 123.438 0.542 . . . . 0.0 113.081 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.95 6.83 0.64 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.87 2.868 . . . . 0.0 114.737 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.413 HG22 HD13 ' A' ' 18' ' ' LEU . 97.2 m -70.64 117.71 12.5 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.32 -1.487 . . . . 0.0 111.617 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.5 m -121.23 109.35 14.85 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.634 1.174 . . . . 0.0 110.303 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.413 HD13 HG22 ' A' ' 16' ' ' THR . 5.8 mp -118.1 145.08 45.12 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.259 1.824 . . . . 0.0 113.478 -175.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.2 -7.8 41.14 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.16 1.784 . . . . 0.0 113.026 176.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -145.26 156.31 43.75 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.11 -168.14 12.75 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 126.057 1.789 . . . . 0.0 114.853 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.1 m -152.24 119.31 5.85 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.075 2.15 . . . . 0.0 108.105 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -74.66 77.3 2.03 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 115.883 1.808 . . . . 0.0 115.883 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.5 mt -51.5 -29.53 16.93 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.51 -19.66 62.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.827 0.851 . . . . 0.0 113.216 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -101.9 -33.91 9.59 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.213 1.005 . . . . 0.0 109.842 174.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -65.84 109.47 2.49 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.787 -0.571 . . . . 0.0 110.075 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.2 p -90.62 7.31 39.92 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.148 0.979 . . . . 0.0 112.198 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.0 151.46 27.99 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.51 1.529 . . . . 0.0 109.588 -175.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.78 170.42 0.12 Allowed 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.8 1.64 . . . . 0.0 114.264 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.435 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.85 -11.62 5.42 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.339 171.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.5 t -73.63 -35.46 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 119.793 1.179 . . . . 0.0 109.044 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.3 p -131.44 -17.37 2.96 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 116.184 1.92 . . . . 0.0 116.184 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.32 15.98 0.54 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.532 1.933 . . . . 0.0 116.158 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -82.44 148.23 28.3 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 119.723 -1.861 . . . . 0.0 113.035 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -123.21 160.94 25.51 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.691 1.597 . . . . 0.0 110.096 175.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.04 26.6 3.87 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.34 1.856 . . . . 0.0 114.911 -175.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.32 99.34 6.37 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 128.895 2.878 . . . . 0.0 111.377 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.1 150.1 18.26 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.79 167.26 16.77 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 131.263 3.825 . . . . 0.0 109.691 178.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.0 mt -127.71 134.07 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 126.219 1.808 . . . . 0.0 107.092 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.45 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.13 173.13 12.79 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.76 0.824 . . . . 0.0 111.663 178.597 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.266 0.0 OUTLIER 56.28 13.04 1.13 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 127.457 2.303 . . . . 0.0 115.248 179.267 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -53.63 113.08 1.05 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 127.86 2.464 . . . . 0.0 114.199 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.1 m -107.53 156.18 19.28 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.508 1.523 . . . . 0.0 112.767 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tt -138.49 137.73 37.4 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.105 1.762 . . . . 0.0 109.108 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -132.01 146.61 52.18 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 126.332 1.853 . . . . 0.0 110.659 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -137.58 116.27 12.17 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 175.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -118.92 121.4 39.88 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.047 1.339 . . . . 0.0 113.68 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.6 t70 46.75 20.43 0.11 Allowed 'General case' 0 CA--C 1.558 1.287 0 N-CA-C 118.581 2.808 . . . . 0.0 118.581 170.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.12 -20.7 9.68 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 126.721 2.105 . . . . 0.0 113.36 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -77.92 138.56 38.95 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.514 1.526 . . . . 0.0 109.535 175.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -117.94 129.83 55.85 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.032 1.733 . . . . 0.0 108.587 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.66 139.51 50.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 124.078 0.951 . . . . 0.0 109.376 -177.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.7 t -132.42 117.98 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.695 1.198 . . . . 0.0 108.571 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.2 p -122.02 134.19 54.8 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.835 0.854 . . . . 0.0 111.876 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -155.73 -170.71 3.51 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.255 -0.903 . . . . 0.0 113.211 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.68 158.18 44.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.882 1.273 . . . . 0.0 108.933 -178.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -112.06 140.33 46.83 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.232 1.413 . . . . 0.0 108.003 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.45 ' CD1' HG22 ' A' ' 42' ' ' THR . 6.3 mp -132.18 133.92 44.78 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.697 1.199 . . . . 0.0 111.003 -175.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.03 123.19 15.76 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.497 1.119 . . . . 0.0 110.621 177.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -62.82 -13.48 34.09 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 120.052 -1.655 . . . . 0.0 111.711 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -94.71 -67.92 0.83 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.419 1.087 . . . . 0.0 111.657 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.6 p -92.24 -6.44 50.47 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 72.7 m80 53.27 21.57 2.34 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 126.324 1.85 . . . . 0.0 115.062 -177.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.75 146.81 51.2 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.17 1.388 . . . . 0.0 107.488 169.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.8 t -75.44 105.59 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 O-C-N 121.575 -0.703 . . . . 0.0 109.981 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.9 mt -62.04 -45.58 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 125.45 1.5 . . . . 0.0 111.059 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.53 167.64 21.14 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.5 1.12 . . . . 0.0 112.626 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -115.4 140.76 48.85 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.946 1.698 . . . . 0.0 109.022 174.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -124.29 138.96 54.33 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.909 1.684 . . . . 0.0 112.477 -177.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -139.37 132.22 29.24 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.666 1.187 . . . . 0.0 108.713 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -131.64 126.21 34.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 173.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.62 135.79 49.8 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -129.09 125.13 36.53 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.038 0.935 . . . . 0.0 110.091 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -126.11 142.9 51.33 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.818 2.047 . . . . 0.0 113.763 -175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.71 122.15 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 121.135 -0.978 . . . . 0.0 110.385 174.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.75 24.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.037 1.335 . . . . 0.0 113.726 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.3 t0 52.27 -70.92 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 128.34 2.656 . . . . 0.0 116.725 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -136.74 8.79 3.06 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.822 2.049 . . . . 0.0 112.037 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.92 170.96 13.75 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.863 -1.148 . . . . 0.0 108.956 -175.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -125.39 143.49 50.95 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.155 1.382 . . . . 0.0 109.236 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -121.27 129.58 53.22 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 126.776 2.03 . . . . 0.0 109.113 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -120.64 129.72 53.83 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.951 1.301 . . . . 0.0 108.895 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.94 142.07 36.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 122.216 1.008 . . . . 0.0 109.361 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.8 ttp -138.54 145.04 40.21 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 125.659 1.584 . . . . 0.0 109.305 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.4 tp -151.43 105.67 3.2 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.123 1.769 . . . . 0.0 110.196 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.7 t -142.66 136.97 29.61 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 126.163 1.785 . . . . 0.0 110.217 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.0 tp -59.15 -34.17 71.76 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.198 0.999 . . . . 0.0 111.855 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.7 tp -96.52 -63.13 1.17 Allowed 'General case' 0 C--O 1.232 0.166 0 C-N-CA 125.061 1.344 . . . . 0.0 111.231 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.1 m -64.69 -37.59 88.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -173.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.55 174.81 13.84 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 117.761 1.865 . . . . 0.0 117.761 172.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -112.86 117.6 32.58 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.522 1.529 . . . . 0.0 109.821 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.76 157.2 44.55 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.344 1.058 . . . . 0.0 113.828 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -150.98 137.77 18.94 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.309 1.044 . . . . 0.0 111.158 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -141.82 152.47 43.72 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.41 1.884 . . . . 0.0 111.856 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.03 133.65 39.6 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.778 -0.576 . . . . 0.0 110.735 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.7 mt -122.26 129.72 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.422 1.489 . . . . 0.0 111.313 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.472 0.633 0 O-C-N 121.16 -0.963 . . . . 0.0 109.362 173.126 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.64 -33.73 1.0 Allowed Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.986 2.232 . . . . 0.0 111.726 -177.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -65.7 -19.19 65.81 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 118.047 0.924 . . . . 0.0 109.964 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.5 m -61.96 -25.87 67.86 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.132 1.773 . . . . 0.0 113.157 175.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.0 m -112.15 138.48 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.506 1.123 . . . . 0.0 111.526 -174.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -63.94 -38.77 92.32 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.872 -1.142 . . . . 0.0 110.779 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -137.26 142.89 41.99 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.577 1.551 . . . . 0.0 109.43 176.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -80.92 124.31 29.02 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.087 0.955 . . . . 0.0 109.314 176.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 46.86 59.98 15.52 Favored Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 124.698 1.199 . . . . 0.0 113.117 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -63.09 146.75 94.61 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.37 2.713 . . . . 0.0 111.429 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -77.92 145.46 36.12 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.523 -1.361 . . . . 0.0 109.393 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -119.16 28.63 8.12 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.32 36.95 71.24 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.345 0.498 . . . . 0.0 112.872 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 82.96 6.34 0.83 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 128.915 2.886 . . . . 0.0 114.731 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.429 HG22 HD13 ' A' ' 18' ' ' LEU . 92.4 m -70.71 118.66 13.78 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.251 -1.531 . . . . 0.0 111.536 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.3 m -122.8 109.84 14.71 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.68 1.192 . . . . 0.0 110.31 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.429 HD13 HG22 ' A' ' 16' ' ' THR . 6.4 mp -120.84 148.79 43.54 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.09 1.756 . . . . 0.0 113.966 -175.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.11 0.85 38.54 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.321 2.248 . . . . 0.0 112.837 176.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -141.26 159.5 42.08 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.227 1.411 . . . . 0.0 113.249 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.7 -175.32 35.5 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.265 1.412 . . . . 0.0 115.929 175.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 m -146.13 123.14 11.4 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 127.798 2.439 . . . . 0.0 108.533 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -75.29 76.72 2.4 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -174.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.3 mt -51.78 -29.54 19.37 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.38 -18.89 63.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.315 1.046 . . . . 0.0 113.182 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -102.7 -33.1 9.54 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.172 0.989 . . . . 0.0 110.376 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -66.13 109.97 2.8 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 175.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.7 p -88.65 2.06 53.9 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.225 1.01 . . . . 0.0 112.11 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.31 150.61 26.86 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.94 1.733 . . . . 0.0 109.448 -175.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.1 t -53.1 168.87 0.12 Allowed 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.562 1.545 . . . . 0.0 114.301 -177.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.433 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.54 -11.43 6.2 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.24 171.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.9 t -74.02 -35.41 41.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 119.681 1.128 . . . . 0.0 109.056 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.0 p -131.59 -16.7 2.98 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 82.2 14.6 0.48 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -83.34 145.37 29.09 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.025 -1.672 . . . . 0.0 113.34 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -119.33 160.76 21.64 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.684 1.594 . . . . 0.0 110.016 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.06 26.7 3.96 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 126.337 1.855 . . . . 0.0 115.045 -176.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.29 98.84 6.11 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 128.704 2.802 . . . . 0.0 111.386 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.93 150.55 18.94 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.46 165.37 19.96 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 131.265 3.826 . . . . 0.0 109.266 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.1 mt -127.57 134.18 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 125.873 1.669 . . . . 0.0 106.866 176.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.445 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.27 172.77 13.33 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.483 0.713 . . . . 0.0 111.78 178.784 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.278 0.0 OUTLIER 57.78 15.82 3.2 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.262 2.225 . . . . 0.0 114.897 178.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -54.33 112.86 1.07 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.987 2.115 . . . . 0.0 113.476 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.2 m -107.47 156.12 19.31 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.296 1.438 . . . . 0.0 112.297 176.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -138.72 137.76 37.08 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.68 1.592 . . . . 0.0 109.697 177.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -131.88 146.69 52.27 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 126.379 1.872 . . . . 0.0 111.125 -178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -138.9 116.36 11.26 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.898 0.38 . . . . 0.0 111.09 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -118.91 121.42 39.93 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.286 1.434 . . . . 0.0 113.198 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 45.1 20.73 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 118.415 2.746 . . . . 0.0 118.415 172.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.07 -20.96 9.63 Favored Glycine 0 N--CA 1.477 1.424 0 C-N-CA 126.273 1.892 . . . . 0.0 113.304 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -74.73 136.99 41.76 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.104 1.361 . . . . 0.0 108.92 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -117.94 129.85 55.86 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.584 1.554 . . . . 0.0 108.705 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.407 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.72 139.58 49.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 123.836 0.855 . . . . 0.0 109.47 -178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.2 t -132.35 118.13 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.757 1.223 . . . . 0.0 108.797 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.5 p -121.91 134.75 54.86 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.523 0.729 . . . . 0.0 112.015 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -154.45 -170.95 3.69 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -141.64 158.31 43.99 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.897 1.279 . . . . 0.0 109.248 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -111.7 141.15 45.67 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.222 1.409 . . . . 0.0 108.206 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.445 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.68 134.37 44.73 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.763 1.225 . . . . 0.0 110.883 -176.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.3 t -59.42 123.48 16.94 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.486 1.114 . . . . 0.0 110.745 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -63.05 -12.84 29.37 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 120.107 -1.621 . . . . 0.0 111.737 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -95.86 -67.7 0.84 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.549 1.139 . . . . 0.0 111.655 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.2 p -92.84 -5.98 49.81 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.294 70.8 m80 53.49 20.29 2.0 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.374 1.87 . . . . 0.0 115.156 -177.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.4 147.06 52.61 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.844 1.257 . . . . 0.0 107.719 169.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.7 t -76.46 102.25 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 O-C-N 121.558 -0.714 . . . . 0.0 110.325 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.9 mt -58.66 -47.49 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.555 1.542 . . . . 0.0 111.478 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -161.7 168.31 23.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.409 1.084 . . . . 0.0 112.511 -175.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.6 141.26 48.42 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.147 1.779 . . . . 0.0 108.747 176.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -125.77 138.64 53.86 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.678 1.591 . . . . 0.0 112.781 -176.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -140.19 131.43 26.6 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 124.452 1.101 . . . . 0.0 108.977 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -130.51 126.7 37.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 173.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.407 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -129.01 135.77 49.41 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -128.63 127.2 41.76 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.217 1.007 . . . . 0.0 110.116 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.98 142.9 51.11 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.511 1.925 . . . . 0.0 113.562 -176.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.9 mt -109.73 121.97 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 O-C-N 121.048 -1.032 . . . . 0.0 109.862 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.46 115.8 24.8 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.721 1.209 . . . . 0.0 113.75 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 51.05 -69.0 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 128.534 2.733 . . . . 0.0 117.365 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -136.23 6.1 3.05 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.975 2.11 . . . . 0.0 112.059 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.59 170.47 14.69 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.991 -1.068 . . . . 0.0 109.569 -175.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -122.71 143.53 49.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.804 1.242 . . . . 0.0 109.322 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -121.61 130.78 53.73 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 126.844 2.058 . . . . 0.0 109.555 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -122.08 129.97 52.85 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 124.955 1.302 . . . . 0.0 109.168 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.51 142.39 37.28 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.925 0.869 . . . . 0.0 109.099 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.1 ttp -138.0 145.69 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.57 1.548 . . . . 0.0 109.302 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.52 105.21 3.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.291 1.836 . . . . 0.0 110.255 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 37.6 t -142.11 136.87 30.52 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.153 1.781 . . . . 0.0 110.204 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.1 tp -59.26 -34.11 71.85 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.164 0.985 . . . . 0.0 111.947 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.8 tp -96.64 -63.16 1.17 Allowed 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.928 1.291 . . . . 0.0 111.117 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.1 m -64.6 -37.4 87.43 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.006 0.922 . . . . 0.0 113.32 -173.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.29 174.61 13.8 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 117.866 1.906 . . . . 0.0 117.866 172.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -113.42 117.13 30.87 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.331 1.452 . . . . 0.0 110.255 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.75 157.28 44.5 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -149.81 138.3 20.7 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.349 1.06 . . . . 0.0 110.924 175.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -141.89 152.35 43.5 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 126.205 1.802 . . . . 0.0 111.802 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.04 134.14 38.16 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.72 -0.613 . . . . 0.0 110.756 174.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.4 mt -122.21 125.85 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.121 1.369 . . . . 0.0 110.727 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.469 0.52 0 O-C-N 121.401 -0.812 . . . . 0.0 109.461 174.265 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.8 -33.88 1.03 Allowed Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.941 2.21 . . . . 0.0 111.776 -177.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.38 -18.28 65.27 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.03 0.915 . . . . 0.0 109.966 170.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.4 m -61.8 -27.29 68.65 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.851 1.661 . . . . 0.0 112.865 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.5 m -110.59 139.29 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.52 1.128 . . . . 0.0 111.801 -174.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -64.18 -41.34 97.16 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.948 1.299 . . . . 0.0 110.67 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -134.5 141.99 46.91 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 127.013 2.125 . . . . 0.0 109.35 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.45 124.62 29.59 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.831 0.853 . . . . 0.0 109.318 175.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 46.36 59.81 15.19 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 124.892 1.277 . . . . 0.0 113.182 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -63.25 145.56 93.26 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.254 2.636 . . . . 0.0 111.579 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -78.14 144.11 36.7 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.437 -1.415 . . . . 0.0 109.492 175.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -118.99 31.2 6.76 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.88 37.23 69.15 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.5 0.572 . . . . 0.0 112.994 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.66 7.19 0.67 Allowed 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 128.806 2.842 . . . . 0.0 114.714 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.402 HG22 HD13 ' A' ' 18' ' ' LEU . 95.0 m -70.57 118.1 12.94 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.292 -1.505 . . . . 0.0 111.435 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.9 m -122.52 109.45 14.35 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.71 1.204 . . . . 0.0 110.28 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.402 HD13 HG22 ' A' ' 16' ' ' THR . 6.0 mp -120.25 144.49 47.74 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.328 1.851 . . . . 0.0 113.52 -175.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -93.11 -4.86 51.54 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.711 1.604 . . . . 0.0 113.293 176.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -145.3 154.07 41.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.317 1.047 . . . . 0.0 113.176 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.89 -169.77 14.32 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.458 1.504 . . . . 0.0 115.138 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.3 m -156.55 114.44 3.26 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 127.645 2.378 . . . . 0.0 107.643 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -73.79 78.27 1.58 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 -173.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.7 mt -51.28 -30.0 16.52 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.0 mt -70.69 -19.09 62.8 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.928 0.891 . . . . 0.0 113.306 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -102.95 -33.62 9.24 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.524 1.129 . . . . 0.0 109.537 175.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -65.89 109.61 2.57 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.714 0.688 . . . . 0.0 109.981 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.9 p -90.61 6.82 42.19 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.235 1.014 . . . . 0.0 112.147 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.24 151.2 27.72 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.55 1.548 . . . . 0.0 109.519 -174.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.52 170.47 0.1 Allowed 'General case' 0 C--O 1.239 0.521 0 C-N-CA 125.924 1.689 . . . . 0.0 114.216 -177.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.96 -11.86 5.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.374 171.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.4 t -73.4 -35.42 45.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 119.801 1.182 . . . . 0.0 109.079 171.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 p -131.31 -17.69 2.97 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 116.129 1.899 . . . . 0.0 116.129 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 82.12 14.66 0.49 Allowed 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -81.81 147.2 29.5 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.106 -1.621 . . . . 0.0 113.166 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -121.86 160.73 24.12 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.635 1.574 . . . . 0.0 109.999 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.269 4.0 p30 52.34 26.56 4.16 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.229 1.811 . . . . 0.0 114.875 -175.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.42 99.32 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 128.914 2.886 . . . . 0.0 111.246 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.11 150.05 18.19 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 176.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.44 167.09 16.73 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 131.206 3.803 . . . . 0.0 109.157 178.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.4 mt -128.76 135.66 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 125.939 1.696 . . . . 0.0 106.983 176.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.44 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.5 172.88 13.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.532 0.733 . . . . 0.0 111.754 178.463 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER 57.32 14.21 2.05 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.35 2.26 . . . . 0.0 115.575 178.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 tttp -50.38 110.4 0.4 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.912 2.085 . . . . 0.0 113.187 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.8 m -107.38 155.95 19.45 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.758 1.623 . . . . 0.0 112.022 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.46 137.78 34.17 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.691 1.596 . . . . 0.0 110.089 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -132.09 146.66 52.2 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.506 1.922 . . . . 0.0 111.559 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -141.0 116.34 10.05 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -118.81 121.53 40.26 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.494 1.518 . . . . 0.0 113.425 173.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 45.77 20.52 0.07 Allowed 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 118.509 2.781 . . . . 0.0 118.509 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.44 -20.69 9.48 Favored Glycine 0 N--CA 1.476 1.353 0 C-N-CA 125.996 1.76 . . . . 0.0 112.984 -177.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -73.95 135.38 43.21 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.586 1.154 . . . . 0.0 108.584 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -118.05 129.84 55.8 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.284 1.434 . . . . 0.0 108.543 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -122.82 139.52 49.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 123.697 0.799 . . . . 0.0 109.282 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.0 t -132.52 118.06 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 124.589 1.156 . . . . 0.0 108.806 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.3 p -122.06 133.12 54.79 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.738 0.815 . . . . 0.0 112.1 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -152.93 -171.13 3.84 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.287 -0.883 . . . . 0.0 113.165 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.7 158.14 44.19 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.844 1.257 . . . . 0.0 109.145 -177.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -112.27 140.71 46.75 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.276 1.43 . . . . 0.0 108.148 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.58 134.19 44.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.703 1.201 . . . . 0.0 111.047 -175.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.57 123.25 16.26 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.485 1.114 . . . . 0.0 110.717 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -62.61 -13.53 32.58 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.098 -1.626 . . . . 0.0 111.778 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -94.85 -67.97 0.83 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.507 1.123 . . . . 0.0 111.669 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.51 -6.14 50.36 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 72.9 m80 53.16 20.89 1.96 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.335 1.854 . . . . 0.0 115.115 -177.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.95 146.78 52.47 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.097 1.359 . . . . 0.0 107.583 169.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.6 t -75.59 105.33 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 O-C-N 121.526 -0.734 . . . . 0.0 109.879 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.0 mt -61.54 -45.48 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.444 1.498 . . . . 0.0 111.145 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.84 167.39 20.84 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.596 1.158 . . . . 0.0 112.478 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -114.97 141.11 48.43 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.794 1.638 . . . . 0.0 109.061 174.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.59 138.98 54.45 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.127 1.771 . . . . 0.0 112.428 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -139.13 132.64 30.32 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.7 1.2 . . . . 0.0 108.787 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -131.94 125.87 32.67 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.02 135.77 50.33 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -129.36 128.75 43.71 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.047 0.939 . . . . 0.0 110.294 -178.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -129.73 142.88 50.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.236 1.814 . . . . 0.0 113.702 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mt -109.84 121.93 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 O-C-N 120.954 -1.091 . . . . 0.0 109.662 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.7 24.62 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.899 1.28 . . . . 0.0 114.169 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.5 t0 51.53 -68.78 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 128.459 2.703 . . . . 0.0 117.409 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -135.47 6.59 3.27 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.881 2.072 . . . . 0.0 112.084 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -132.7 170.84 14.65 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 120.71 -1.244 . . . . 0.0 109.877 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -121.82 143.45 49.4 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 125.417 1.487 . . . . 0.0 109.355 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -121.72 129.28 52.61 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 126.824 2.05 . . . . 0.0 109.46 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -121.59 130.15 53.32 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 125.014 1.326 . . . . 0.0 109.302 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.82 142.17 36.66 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 122.097 0.951 . . . . 0.0 109.484 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 ttp -138.37 145.62 41.3 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 125.758 1.623 . . . . 0.0 109.495 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 tp -151.89 105.55 3.12 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.133 1.773 . . . . 0.0 110.293 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.9 t -142.3 136.9 30.2 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.273 1.829 . . . . 0.0 110.012 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.52 -34.12 72.23 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.196 0.998 . . . . 0.0 111.851 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 tp -96.33 -63.19 1.17 Allowed 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.973 1.309 . . . . 0.0 111.248 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 79.6 m -64.27 -37.82 88.85 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.836 0.854 . . . . 0.0 113.26 -173.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.25 175.16 13.97 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 117.65 1.82 . . . . 0.0 117.65 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.38 118.31 34.2 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.238 1.415 . . . . 0.0 110.215 174.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.76 157.19 44.56 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -150.24 137.79 19.81 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.334 1.054 . . . . 0.0 110.939 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -141.81 152.4 43.68 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.164 1.785 . . . . 0.0 111.706 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.47 132.66 37.65 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.844 -0.535 . . . . 0.0 110.464 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.3 mt -122.19 128.16 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.398 1.479 . . . . 0.0 111.26 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.472 0.642 0 O-C-N 121.185 -0.947 . . . . 0.0 110.308 174.591 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.94 -33.99 1.05 Allowed Glycine 0 CA--C 1.53 1.02 0 C-N-CA 126.947 2.213 . . . . 0.0 111.795 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.37 -17.15 64.6 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 117.901 0.85 . . . . 0.0 110.049 169.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.4 m -63.14 -26.28 68.74 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.794 1.638 . . . . 0.0 112.764 175.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m -112.13 140.05 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.146 0.978 . . . . 0.0 111.964 -174.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.71 -38.74 92.02 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.921 -1.112 . . . . 0.0 111.109 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -136.56 143.59 43.75 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.551 1.94 . . . . 0.0 109.48 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -81.35 125.08 29.95 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.102 0.961 . . . . 0.0 109.26 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 45.8 59.68 14.72 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 124.891 1.276 . . . . 0.0 113.199 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -63.19 145.19 93.27 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.176 2.584 . . . . 0.0 111.297 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -78.22 143.9 36.73 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.291 -1.506 . . . . 0.0 109.64 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -116.54 31.19 6.88 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.22 12.51 12.33 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.034 1.778 . . . . 0.0 116.653 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 121.25 -2.9 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.129 1 C-N-CA 132.602 4.361 . . . . 0.0 115.589 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.405 HG22 HD13 ' A' ' 18' ' ' LEU . 89.6 m -64.4 116.36 6.01 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 120.936 -1.103 . . . . 0.0 112.813 -176.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.6 m -122.06 109.68 14.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.82 1.248 . . . . 0.0 110.194 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.405 HD13 HG22 ' A' ' 16' ' ' THR . 6.1 mp -119.64 145.68 46.23 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.229 1.811 . . . . 0.0 113.591 -175.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.52 -5.64 45.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.417 1.887 . . . . 0.0 113.243 176.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -148.37 152.15 36.53 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.488 1.115 . . . . 0.0 112.56 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.98 -176.18 16.21 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.462 1.506 . . . . 0.0 114.447 177.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.5 m -150.35 117.72 6.06 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.656 2.382 . . . . 0.0 108.05 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.11 77.32 2.27 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -174.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.6 mt -52.77 -25.26 10.72 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.95 1.834 . . . . 0.0 115.95 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.8 mt -74.59 -17.4 60.72 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.967 0.907 . . . . 0.0 112.93 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -104.44 -32.37 9.05 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.606 1.162 . . . . 0.0 110.386 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -66.14 104.37 1.15 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.513 0.597 . . . . 0.0 111.291 177.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.3 p -82.05 -2.29 51.3 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 121.059 -1.026 . . . . 0.0 112.911 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.22 149.34 22.84 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 126.077 1.799 . . . . 0.0 109.157 -175.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.7 t -52.83 167.22 0.16 Allowed 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.449 1.5 . . . . 0.0 113.99 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.428 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.17 -11.51 6.41 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 124.287 1.035 . . . . 0.0 112.438 172.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.6 t -72.85 -34.85 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 119.765 1.166 . . . . 0.0 108.946 171.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 p -131.73 -16.0 3.01 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 83.07 18.9 0.24 Allowed 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -91.59 138.99 31.12 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 119.937 -1.727 . . . . 0.0 114.098 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -112.76 161.39 16.95 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 126.191 1.796 . . . . 0.0 109.575 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.263 4.1 p30 51.55 27.17 3.71 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.429 1.892 . . . . 0.0 114.984 -175.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -123.72 98.74 5.96 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 128.713 2.805 . . . . 0.0 111.25 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.16 150.11 16.37 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 176.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.06 165.12 20.1 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 131.018 3.727 . . . . 0.0 108.981 178.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.5 mt -126.93 134.44 66.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 175.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.461 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -149.0 176.7 10.22 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.524 0.73 . . . . 0.0 111.257 178.315 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.0 t30 58.24 18.38 5.35 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.829 1.251 . . . . 0.0 113.668 173.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -58.25 113.99 2.2 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 127.017 2.127 . . . . 0.0 112.698 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.3 m -107.52 155.97 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 125.871 1.668 . . . . 0.0 111.754 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -139.71 137.82 35.47 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.59 1.556 . . . . 0.0 109.69 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -132.05 146.64 52.19 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 126.269 1.828 . . . . 0.0 111.491 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -139.18 116.43 11.13 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 117.923 0.328 . . . . 0.0 111.622 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -118.94 121.48 40.04 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.117 1.367 . . . . 0.0 113.233 173.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 45.07 20.69 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 118.545 2.794 . . . . 0.0 118.545 172.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.45 -21.2 9.3 Favored Glycine 0 N--CA 1.477 1.379 0 C-N-CA 126.159 1.837 . . . . 0.0 113.19 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -73.89 136.91 43.4 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.975 1.31 . . . . 0.0 108.923 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -118.04 129.88 55.83 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 125.544 1.538 . . . . 0.0 108.684 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.6 mp -123.05 138.44 53.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 124.058 0.943 . . . . 0.0 109.423 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.5 t -132.4 118.2 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 124.683 1.193 . . . . 0.0 108.9 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.2 p -122.02 134.6 54.8 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.812 0.845 . . . . 0.0 111.704 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -153.43 -168.72 3.09 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.989 -1.069 . . . . 0.0 113.161 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -141.73 158.33 43.94 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.583 1.153 . . . . 0.0 110.532 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -109.26 138.6 45.37 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 172.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 42' ' ' THR . 5.8 mp -132.85 131.77 41.38 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.722 1.209 . . . . 0.0 110.068 -175.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -57.84 124.06 17.9 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.57 1.148 . . . . 0.0 111.379 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -63.43 -12.63 32.66 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.245 -1.534 . . . . 0.0 111.708 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -97.19 -61.71 1.36 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.379 1.072 . . . . 0.0 112.481 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.0 p -99.99 -4.58 29.76 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.298 57.8 m80 52.49 19.43 1.18 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.527 1.931 . . . . 0.0 115.113 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.14 147.19 53.42 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 169.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.9 t -76.32 101.11 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 O-C-N 121.597 -0.689 . . . . 0.0 110.281 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.0 mt -57.45 -46.53 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.479 1.512 . . . . 0.0 111.337 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.69 165.1 26.09 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.483 1.113 . . . . 0.0 111.859 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -112.84 143.06 44.75 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.416 1.486 . . . . 0.0 108.341 174.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -125.47 138.42 54.0 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.313 1.445 . . . . 0.0 112.033 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -139.24 132.43 29.78 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.579 1.152 . . . . 0.0 108.738 174.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -131.55 126.12 34.07 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.59 135.84 49.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -129.13 125.91 38.15 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.151 0.98 . . . . 0.0 110.036 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.0 142.88 51.44 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.616 1.966 . . . . 0.0 113.725 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -110.47 122.73 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 O-C-N 121.09 -1.006 . . . . 0.0 110.182 174.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.8 24.81 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.915 1.286 . . . . 0.0 113.093 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 50.73 -77.1 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 127.865 2.466 . . . . 0.0 116.064 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -131.06 10.54 4.97 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.48 1.912 . . . . 0.0 112.119 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -131.07 170.27 14.73 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.665 -1.272 . . . . 0.0 109.141 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -124.89 143.5 50.82 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 125.239 1.416 . . . . 0.0 109.347 177.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -121.42 129.3 52.92 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 126.629 1.972 . . . . 0.0 109.37 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -121.01 129.92 53.58 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 124.974 1.309 . . . . 0.0 108.997 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.9 142.51 36.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.14 0.972 . . . . 0.0 109.33 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 ttp -138.0 145.02 41.39 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 125.735 1.614 . . . . 0.0 109.157 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.4 tp -151.18 104.96 3.17 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.243 1.817 . . . . 0.0 110.08 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 37.0 t -141.87 136.85 30.93 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 126.27 1.828 . . . . 0.0 109.964 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.0 tp -59.87 -33.84 72.35 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.166 0.986 . . . . 0.0 111.925 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -96.4 -62.83 1.21 Allowed 'General case' 0 C--O 1.231 0.116 0 C-N-CA 125.067 1.347 . . . . 0.0 111.299 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 84.9 m -64.63 -38.91 92.63 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.873 0.869 . . . . 0.0 113.122 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.98 174.93 13.84 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 117.671 1.828 . . . . 0.0 117.671 173.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -113.2 117.16 31.14 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.118 1.367 . . . . 0.0 109.827 174.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.67 157.28 44.52 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -150.05 138.78 20.82 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.222 1.009 . . . . 0.0 111.208 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -141.76 152.41 43.76 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.255 1.822 . . . . 0.0 111.77 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.58 134.19 39.09 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.818 -0.551 . . . . 0.0 110.517 174.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.7 mt -122.14 127.66 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.235 1.414 . . . . 0.0 111.088 -177.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.469 0.523 0 O-C-N 121.386 -0.821 . . . . 0.0 108.925 173.17 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.75 -33.81 1.02 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 126.933 2.206 . . . . 0.0 111.793 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -65.74 -19.12 65.78 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 117.957 0.879 . . . . 0.0 109.88 169.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.9 m -62.1 -25.61 67.82 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.199 1.8 . . . . 0.0 113.159 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.3 m -112.04 138.63 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.406 1.082 . . . . 0.0 111.716 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -64.06 -38.65 91.86 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.484 1.114 . . . . 0.0 110.953 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -137.1 143.91 42.79 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.55 1.94 . . . . 0.0 109.459 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -81.28 124.88 29.7 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.185 0.994 . . . . 0.0 109.305 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 46.12 59.91 14.82 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 124.857 1.263 . . . . 0.0 113.172 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -62.72 146.59 95.21 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.196 2.598 . . . . 0.0 111.617 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -76.38 145.25 39.53 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.722 -1.236 . . . . 0.0 109.181 175.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -119.99 28.73 7.92 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -175.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.85 37.11 68.4 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.323 0.487 . . . . 0.0 113.026 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 81.42 7.91 1.09 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 128.762 2.825 . . . . 0.0 114.851 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.43 HG22 HD13 ' A' ' 18' ' ' LEU . 95.2 m -71.27 117.61 13.01 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.24 -1.538 . . . . 0.0 111.412 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.8 m -121.65 109.53 14.87 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.519 1.128 . . . . 0.0 110.426 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.43 HD13 HG22 ' A' ' 16' ' ' THR . 6.6 mp -120.95 148.91 43.43 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.894 1.678 . . . . 0.0 114.071 -174.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.41 2.28 39.28 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.598 2.359 . . . . 0.0 112.789 176.096 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -141.51 159.07 42.97 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.373 1.469 . . . . 0.0 113.109 -176.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.01 -173.93 35.18 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.104 1.335 . . . . 0.0 116.36 174.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 m -145.49 133.41 21.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 128.103 2.561 . . . . 0.0 108.521 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -86.27 74.25 10.04 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.1 -25.56 13.42 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.1 mt -71.21 -19.97 62.32 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.262 1.025 . . . . 0.0 113.163 175.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -101.4 -33.5 9.97 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.651 1.18 . . . . 0.0 110.071 174.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -65.2 111.91 3.18 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.771 -0.581 . . . . 0.0 110.245 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.9 p -90.09 2.76 54.9 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.479 1.112 . . . . 0.0 112.298 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.49 149.98 26.29 Favored Glycine 0 CA--C 1.534 1.244 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -174.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.4 t -53.43 168.66 0.15 Allowed 'General case' 0 C--O 1.239 0.547 0 C-N-CA 125.409 1.483 . . . . 0.0 114.106 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.435 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.52 -11.69 6.19 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 124.35 1.06 . . . . 0.0 112.424 171.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.0 t -73.45 -35.4 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 119.758 1.163 . . . . 0.0 109.044 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.1 p -131.18 -16.55 3.15 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 81.38 16.25 0.52 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -84.23 146.89 27.56 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.105 -1.622 . . . . 0.0 113.235 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -122.1 162.27 21.57 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.635 1.574 . . . . 0.0 109.851 174.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.283 4.0 p30 52.85 26.09 4.35 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.187 1.795 . . . . 0.0 114.812 -175.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -123.84 99.4 6.26 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 128.751 2.82 . . . . 0.0 111.572 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.36 150.31 17.97 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 175.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.52 166.08 18.65 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 131.336 3.854 . . . . 0.0 109.163 178.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.5 mt -128.92 135.05 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 125.842 1.657 . . . . 0.0 106.759 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.437 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.92 172.76 13.67 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.356 0.662 . . . . 0.0 111.848 178.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.279 0.0 OUTLIER 58.8 14.86 3.45 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 127.521 2.328 . . . . 0.0 115.004 178.822 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -51.68 111.21 0.56 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.719 2.008 . . . . 0.0 113.028 -178.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.6 m -107.48 156.06 19.39 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 125.44 1.496 . . . . 0.0 112.102 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.08 137.82 34.84 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.684 1.593 . . . . 0.0 110.046 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -131.85 146.64 52.24 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 126.435 1.894 . . . . 0.0 111.065 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -138.44 116.22 11.49 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.833 0.349 . . . . 0.0 110.7 175.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -118.84 121.47 40.09 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.346 1.458 . . . . 0.0 113.268 174.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 45.41 20.96 0.06 Allowed 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 118.374 2.731 . . . . 0.0 118.374 172.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.86 -21.16 9.71 Favored Glycine 0 N--CA 1.477 1.369 0 C-N-CA 126.25 1.881 . . . . 0.0 113.26 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -74.97 137.16 41.4 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.007 1.323 . . . . 0.0 108.984 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -117.93 129.79 55.83 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.696 1.598 . . . . 0.0 108.679 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.408 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.99 139.5 50.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 123.96 0.904 . . . . 0.0 109.433 -177.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.0 t -132.53 118.17 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.814 1.246 . . . . 0.0 108.929 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.9 p -121.93 135.33 54.86 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.426 0.691 . . . . 0.0 112.123 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -153.45 -171.08 3.79 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 178.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.69 158.16 44.16 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.096 1.358 . . . . 0.0 108.776 -178.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -112.52 141.34 46.39 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.158 1.383 . . . . 0.0 107.927 176.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.437 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.98 134.47 44.53 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.557 1.143 . . . . 0.0 110.968 -175.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -59.93 123.81 18.22 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.335 1.054 . . . . 0.0 110.597 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -63.11 -12.76 29.46 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 120.155 -1.591 . . . . 0.0 111.832 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -95.63 -68.32 0.81 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.581 1.152 . . . . 0.0 111.597 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.6 p -91.97 -6.45 51.24 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 71.9 m80 53.49 20.43 2.05 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 126.347 1.859 . . . . 0.0 115.061 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.18 146.65 53.2 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.965 1.306 . . . . 0.0 107.66 169.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.6 t -75.5 105.27 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 O-C-N 121.71 -0.618 . . . . 0.0 109.96 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.6 -45.37 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.415 1.486 . . . . 0.0 111.157 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.59 167.29 21.46 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.547 1.139 . . . . 0.0 112.454 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -115.25 140.59 48.97 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.783 1.633 . . . . 0.0 109.038 174.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -122.63 138.87 54.46 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.126 1.771 . . . . 0.0 112.453 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -140.15 131.05 26.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.451 1.1 . . . . 0.0 108.966 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -130.13 126.45 37.56 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 173.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.408 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -128.93 135.81 49.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.899 0.857 . . . . 0.0 108.74 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -128.58 126.86 41.17 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.103 0.961 . . . . 0.0 110.022 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.45 142.86 51.3 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.502 1.921 . . . . 0.0 113.645 -176.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.1 122.02 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.154 -0.967 . . . . 0.0 109.815 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.3 ptp -119.41 115.69 24.62 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.654 1.181 . . . . 0.0 113.16 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 49.49 -76.33 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 127.875 2.47 . . . . 0.0 116.787 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -130.7 12.81 5.36 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.174 2.19 . . . . 0.0 112.097 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -136.58 168.81 18.78 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 120.984 -1.073 . . . . 0.0 109.295 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -122.27 143.53 49.55 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.017 1.327 . . . . 0.0 109.462 175.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -121.7 130.93 53.8 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 126.745 2.018 . . . . 0.0 109.782 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -122.02 130.16 53.05 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 125.102 1.361 . . . . 0.0 109.144 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.91 142.61 36.46 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.845 0.831 . . . . 0.0 109.22 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.4 ttp -137.57 145.53 42.95 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 125.83 1.652 . . . . 0.0 109.315 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 tp -152.04 105.39 3.07 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.115 1.766 . . . . 0.0 110.318 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.2 t -141.96 136.62 30.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.218 1.807 . . . . 0.0 109.953 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.8 tp -59.58 -34.4 72.66 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.045 0.938 . . . . 0.0 111.851 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.0 tp -95.71 -63.48 1.15 Allowed 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.855 1.262 . . . . 0.0 110.975 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 72.9 m -64.25 -37.3 86.98 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -173.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.31 175.16 14.0 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 117.559 1.784 . . . . 0.0 117.559 172.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -111.76 120.81 43.26 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.185 1.394 . . . . 0.0 110.017 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.78 157.22 44.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -150.91 137.82 19.06 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.978 0.911 . . . . 0.0 110.79 174.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -141.89 152.43 43.57 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.019 1.728 . . . . 0.0 111.542 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.46 135.54 40.59 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.786 -0.571 . . . . 0.0 110.547 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.2 mt -122.19 125.42 72.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.836 1.254 . . . . 0.0 110.406 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.469 0.524 0 O-C-N 121.785 -0.572 . . . . 0.0 109.924 174.301 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.19 -34.89 1.09 Allowed Glycine 0 CA--C 1.532 1.103 0 C-N-CA 126.87 2.176 . . . . 0.0 111.358 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -66.15 -18.72 65.52 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.725 -0.867 . . . . 0.0 109.885 169.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 75.0 m -61.63 -26.84 68.25 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.207 1.803 . . . . 0.0 112.84 174.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 m -111.19 139.67 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.319 1.048 . . . . 0.0 111.847 -174.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.6 -40.71 95.99 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.939 1.296 . . . . 0.0 110.467 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -134.31 141.84 47.06 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 127.041 2.136 . . . . 0.0 109.27 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -81.89 123.56 28.95 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.616 0.766 . . . . 0.0 109.057 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 47.29 60.14 15.56 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.726 1.21 . . . . 0.0 113.083 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -62.81 146.45 95.05 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.247 2.632 . . . . 0.0 111.407 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -78.24 145.34 35.53 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.632 -1.292 . . . . 0.0 109.424 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.7 mmm-85 -119.18 28.79 8.03 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -174.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.55 37.25 74.52 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.325 0.488 . . . . 0.0 112.908 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 81.99 7.57 0.98 Allowed 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 128.676 2.791 . . . . 0.0 114.746 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.412 HG22 HD13 ' A' ' 18' ' ' LEU . 95.8 m -70.83 118.68 13.91 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.33 -1.481 . . . . 0.0 111.521 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.9 m -122.36 110.02 15.13 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.671 1.188 . . . . 0.0 110.349 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.412 HD13 HG22 ' A' ' 16' ' ' THR . 5.7 mp -118.83 144.66 46.21 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.315 1.846 . . . . 0.0 113.915 -175.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.24 -7.35 39.21 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.944 2.098 . . . . 0.0 113.585 177.124 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -148.23 147.87 29.86 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.816 1.246 . . . . 0.0 111.469 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.63 -173.92 18.12 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.912 1.244 . . . . 0.0 115.118 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 m -152.67 128.6 10.29 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.855 2.462 . . . . 0.0 108.446 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -87.95 75.84 8.74 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -175.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.46 -25.54 16.69 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.91 -18.61 62.02 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.98 0.912 . . . . 0.0 113.143 175.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -102.99 -33.71 9.19 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.783 1.233 . . . . 0.0 109.661 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -65.16 111.18 2.82 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.507 -0.745 . . . . 0.0 110.169 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.0 p -90.39 2.82 55.21 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.288 1.035 . . . . 0.0 112.334 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.2 148.98 24.86 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.238 1.399 . . . . 0.0 109.686 -175.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 7.2 t -53.35 166.87 0.23 Allowed 'General case' 0 C--O 1.239 0.527 0 C-N-CA 125.38 1.472 . . . . 0.0 114.136 -177.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.452 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -125.36 -11.59 6.87 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.313 1.045 . . . . 0.0 112.295 172.223 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.65 -35.23 43.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 119.817 1.19 . . . . 0.0 109.139 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.6 p -131.92 -14.98 3.06 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 79.45 21.19 0.62 Allowed 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -89.58 146.22 24.72 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 119.814 -1.804 . . . . 0.0 113.104 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -121.68 162.34 20.91 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.606 1.562 . . . . 0.0 109.944 174.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.285 4.0 p30 52.9 26.19 4.48 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.134 1.774 . . . . 0.0 114.852 -175.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -123.77 99.61 6.36 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 128.81 2.844 . . . . 0.0 111.448 -177.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.24 150.06 17.97 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 175.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.16 166.17 18.18 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 131.333 3.853 . . . . 0.0 109.346 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.6 mt -128.39 134.06 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 126.002 1.721 . . . . 0.0 106.878 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.437 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -146.95 171.48 15.18 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.267 0.627 . . . . 0.0 111.572 178.425 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.281 0.0 OUTLIER 58.22 13.92 2.56 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 127.292 2.237 . . . . 0.0 115.134 179.121 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -51.95 108.1 0.25 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 127.256 2.223 . . . . 0.0 112.43 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.7 m -107.48 156.15 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.575 1.55 . . . . 0.0 112.515 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tt -139.79 137.76 35.29 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.15 1.38 . . . . 0.0 110.606 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -132.08 146.65 52.19 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 127.138 2.175 . . . . 0.0 111.233 -178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -139.05 116.35 11.14 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.804 0.335 . . . . 0.0 111.487 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -118.92 121.39 39.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.26 1.424 . . . . 0.0 113.356 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 46.03 20.67 0.08 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 118.372 2.73 . . . . 0.0 118.372 172.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.63 -21.12 9.91 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 126.204 1.859 . . . . 0.0 113.212 -177.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -74.78 136.2 41.68 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.761 1.224 . . . . 0.0 108.781 174.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -118.06 129.82 55.78 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.543 1.537 . . . . 0.0 108.632 176.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.404 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.65 139.2 50.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 123.875 0.87 . . . . 0.0 109.446 -178.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.5 t -132.42 118.2 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 124.995 1.318 . . . . 0.0 109.002 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.8 p -121.96 135.67 54.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.381 0.673 . . . . 0.0 111.743 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -152.23 -172.34 4.2 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.179 -0.95 . . . . 0.0 113.193 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.7 158.18 44.14 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.838 1.255 . . . . 0.0 108.616 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -112.84 141.35 46.75 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.035 1.334 . . . . 0.0 108.069 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.437 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.97 134.73 44.88 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.573 1.149 . . . . 0.0 110.996 -175.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -60.33 123.7 18.05 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.293 1.037 . . . . 0.0 110.721 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -62.94 -13.46 34.88 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.064 -1.647 . . . . 0.0 111.712 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -94.94 -67.91 0.83 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.443 1.097 . . . . 0.0 111.62 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.2 p -92.56 -6.29 49.9 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -177.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 73.3 m80 53.52 20.71 2.18 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.407 1.883 . . . . 0.0 115.045 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.15 146.59 53.28 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 169.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 80.7 t -75.8 104.69 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 O-C-N 121.647 -0.658 . . . . 0.0 109.881 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.9 -45.94 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.678 1.591 . . . . 0.0 111.24 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.14 167.84 21.63 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.615 1.166 . . . . 0.0 112.579 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.53 140.4 49.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.805 1.642 . . . . 0.0 109.129 174.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -122.44 139.83 53.41 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.309 1.844 . . . . 0.0 112.642 -177.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -140.18 133.36 29.65 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.625 1.17 . . . . 0.0 108.909 174.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -132.49 125.89 31.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 173.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.404 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -128.65 135.78 49.76 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -128.94 127.74 42.35 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.199 0.999 . . . . 0.0 110.286 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.81 142.87 50.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.369 1.868 . . . . 0.0 113.753 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -109.98 121.99 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 O-C-N 121.127 -0.983 . . . . 0.0 110.028 175.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.37 115.74 24.74 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.883 1.273 . . . . 0.0 113.903 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.7 t0 52.67 -70.63 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.421 2.688 . . . . 0.0 116.703 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -137.16 8.96 2.97 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.698 1.999 . . . . 0.0 111.956 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.1 170.28 14.22 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 120.815 -1.178 . . . . 0.0 109.213 -175.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -123.35 143.49 50.06 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.088 1.355 . . . . 0.0 109.321 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -121.63 129.38 52.77 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 126.725 2.01 . . . . 0.0 109.271 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -121.19 129.89 53.44 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.924 1.289 . . . . 0.0 109.129 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.89 141.89 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 122.047 0.927 . . . . 0.0 109.519 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.3 ttp -138.1 145.45 41.69 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 125.794 1.638 . . . . 0.0 109.421 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.65 105.66 3.17 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.228 1.811 . . . . 0.0 110.348 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.2 t -142.12 136.71 30.34 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 126.249 1.82 . . . . 0.0 110.015 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.8 tp -59.5 -34.48 72.65 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.227 1.011 . . . . 0.0 111.743 176.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.4 tp -95.65 -63.7 1.13 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.967 1.307 . . . . 0.0 111.04 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.0 m -64.39 -36.91 85.68 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -173.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.62 174.73 13.85 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 117.858 1.903 . . . . 0.0 117.858 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -113.09 118.42 34.72 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.259 1.424 . . . . 0.0 110.191 174.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.77 157.24 44.52 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -150.87 137.75 19.05 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.265 1.026 . . . . 0.0 111.121 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -141.74 152.49 43.86 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.187 1.795 . . . . 0.0 111.693 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.5 133.7 38.74 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.792 -0.567 . . . . 0.0 110.55 174.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.2 mt -122.25 126.84 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.233 1.413 . . . . 0.0 111.124 -177.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.2 p . . . . . 0 N--CA 1.471 0.615 0 O-C-N 121.208 -0.932 . . . . 0.0 109.099 173.155 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.7 -33.81 1.01 Allowed Glycine 0 CA--C 1.531 1.057 0 C-N-CA 126.907 2.194 . . . . 0.0 111.888 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.46 -18.25 65.25 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 118.11 0.955 . . . . 0.0 109.975 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.2 m -61.8 -27.06 68.49 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.925 1.69 . . . . 0.0 112.908 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 m -111.09 139.0 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.69 1.196 . . . . 0.0 111.72 -174.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.04 -38.25 90.25 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.921 -1.112 . . . . 0.0 111.228 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -137.07 144.15 42.98 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.58 1.952 . . . . 0.0 109.369 175.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -81.63 124.64 29.72 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.077 0.951 . . . . 0.0 109.321 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 45.96 59.71 14.88 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 124.944 1.298 . . . . 0.0 113.43 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -63.2 145.14 93.23 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.283 2.656 . . . . 0.0 111.681 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -76.48 143.04 40.74 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.916 -1.115 . . . . 0.0 109.262 176.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.53 31.05 6.76 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -175.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.9 36.7 67.44 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 123.371 0.51 . . . . 0.0 113.146 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 83.19 7.85 0.7 Allowed 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 128.694 2.797 . . . . 0.0 114.779 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.411 HG22 HD13 ' A' ' 18' ' ' LEU . 96.0 m -70.84 117.75 12.75 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.247 -1.533 . . . . 0.0 111.595 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.2 m -121.64 109.8 15.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.48 1.112 . . . . 0.0 110.417 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.411 HD13 HG22 ' A' ' 16' ' ' THR . 5.9 mp -119.28 144.85 46.57 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.312 1.845 . . . . 0.0 113.618 -175.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 12.8 pt-20 -96.13 -2.09 47.17 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.372 1.469 . . . . 0.0 113.128 176.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -148.96 155.19 40.47 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.346 1.058 . . . . 0.0 112.718 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.07 -174.98 15.66 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.676 1.608 . . . . 0.0 114.324 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.4 m -150.18 116.94 5.85 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.472 2.309 . . . . 0.0 108.052 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -74.12 77.71 1.75 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 -173.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 mt -51.44 -30.15 18.5 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.8 mt -70.37 -20.19 62.97 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.861 0.864 . . . . 0.0 113.286 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -101.04 -33.66 10.06 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.161 0.984 . . . . 0.0 109.788 174.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -65.98 109.9 2.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.263 0.483 . . . . 0.0 110.01 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 p -91.06 7.73 38.99 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.237 1.015 . . . . 0.0 112.224 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.67 150.79 26.85 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.29 1.424 . . . . 0.0 109.631 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.1 t -53.56 170.06 0.12 Allowed 'General case' 0 C--O 1.24 0.556 0 C-N-CA 125.785 1.634 . . . . 0.0 114.268 -177.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.44 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.33 -11.58 5.73 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.377 171.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -73.9 -35.36 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 119.702 1.137 . . . . 0.0 109.003 171.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.0 p -131.68 -17.08 2.9 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 82.02 14.31 0.52 Allowed 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -82.24 145.49 30.0 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 119.971 -1.706 . . . . 0.0 113.184 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -119.97 160.66 22.32 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.798 1.639 . . . . 0.0 110.027 175.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.2 26.69 4.1 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.314 1.846 . . . . 0.0 114.934 -175.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.41 98.96 6.17 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 128.751 2.82 . . . . 0.0 111.372 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.49 150.45 19.62 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 176.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.16 166.23 18.07 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 131.283 3.833 . . . . 0.0 108.994 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 88.9 mt -128.78 134.96 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.839 1.656 . . . . 0.0 106.855 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.441 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.64 173.17 12.99 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.278 0.631 . . . . 0.0 111.911 178.578 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.281 0.0 OUTLIER 57.43 16.54 3.28 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.396 2.278 . . . . 0.0 115.184 178.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -53.2 112.99 0.98 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.671 1.988 . . . . 0.0 113.291 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.2 m -107.44 156.16 19.26 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 125.795 1.638 . . . . 0.0 112.104 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -139.69 137.81 35.49 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.724 1.61 . . . . 0.0 109.698 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -132.09 146.63 52.18 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 126.256 1.823 . . . . 0.0 111.451 -178.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -139.22 116.41 11.1 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.753 0.311 . . . . 0.0 111.647 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.85 121.42 39.96 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.049 1.34 . . . . 0.0 113.302 173.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 44.98 20.98 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 118.401 2.741 . . . . 0.0 118.401 172.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.19 -21.16 9.48 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 126.184 1.85 . . . . 0.0 113.253 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -73.75 136.76 43.67 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.95 1.3 . . . . 0.0 108.901 174.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -118.02 129.79 55.79 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.431 1.492 . . . . 0.0 108.704 176.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.14 138.61 52.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 124.056 0.942 . . . . 0.0 109.497 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.8 t -132.46 118.1 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.672 1.189 . . . . 0.0 108.894 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.4 p -121.89 134.99 54.86 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.683 0.793 . . . . 0.0 111.979 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -154.19 -171.27 3.81 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.079 -1.013 . . . . 0.0 113.525 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.67 158.21 44.1 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.844 1.257 . . . . 0.0 109.099 -178.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -112.46 141.33 46.34 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.167 1.387 . . . . 0.0 108.389 177.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.441 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.45 134.78 45.5 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.712 1.205 . . . . 0.0 111.023 -176.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.76 123.4 16.85 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.457 1.103 . . . . 0.0 110.593 177.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -63.06 -13.42 35.67 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.128 -1.607 . . . . 0.0 111.637 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -94.91 -68.13 0.82 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.454 1.102 . . . . 0.0 111.647 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.6 p -92.1 -6.36 51.02 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 73.3 m80 53.67 21.04 2.43 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.374 1.87 . . . . 0.0 114.948 -177.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.11 146.82 52.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.123 1.369 . . . . 0.0 107.572 169.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 80.8 t -75.56 104.81 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 O-C-N 121.502 -0.749 . . . . 0.0 109.986 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.42 -45.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.516 1.526 . . . . 0.0 111.208 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.35 168.75 20.01 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.487 1.115 . . . . 0.0 112.778 -175.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.93 140.2 49.75 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.067 1.747 . . . . 0.0 109.245 174.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -123.06 139.73 53.76 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 126.102 1.761 . . . . 0.0 112.725 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -140.19 133.1 29.26 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.624 1.17 . . . . 0.0 108.703 174.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.4 ' CD2' ' HB3' ' A' ' 19' ' ' GLU . 11.8 t80 -131.98 126.66 34.53 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 174.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.28 135.85 49.3 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -129.22 127.42 41.24 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.146 0.978 . . . . 0.0 109.926 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.29 142.94 50.99 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.387 1.875 . . . . 0.0 113.51 -176.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.3 mt -109.76 121.97 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 O-C-N 121.0 -1.062 . . . . 0.0 109.75 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.43 115.68 24.57 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.811 1.245 . . . . 0.0 114.133 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.2 t0 51.27 -68.62 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 128.483 2.713 . . . . 0.0 117.457 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -135.36 6.23 3.28 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.931 2.092 . . . . 0.0 112.178 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -132.59 170.7 14.81 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.77 -1.206 . . . . 0.0 109.929 -175.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -121.83 143.52 49.36 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 125.039 1.336 . . . . 0.0 109.398 175.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -121.87 130.97 53.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 126.84 2.056 . . . . 0.0 109.461 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -122.45 130.43 53.06 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 124.97 1.308 . . . . 0.0 109.2 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.9 142.98 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 122.078 0.942 . . . . 0.0 109.581 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 53.3 ttp -138.86 145.04 39.51 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 125.871 1.668 . . . . 0.0 109.328 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 tp -151.98 105.27 3.07 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.897 1.679 . . . . 0.0 110.296 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.7 t -141.99 136.81 30.68 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.361 1.864 . . . . 0.0 110.1 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.1 tp -59.16 -34.48 72.14 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.265 1.026 . . . . 0.0 111.817 176.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -96.15 -63.71 1.12 Allowed 'General case' 0 C--O 1.231 0.12 0 C-N-CA 125.021 1.328 . . . . 0.0 111.315 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 75.5 m -63.8 -37.47 87.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -173.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.55 175.27 14.03 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 172.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -112.41 118.7 35.9 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.699 1.6 . . . . 0.0 110.285 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.78 157.24 44.52 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -150.78 137.71 19.11 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.186 0.994 . . . . 0.0 110.86 174.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -141.75 152.47 43.83 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.32 1.848 . . . . 0.0 111.84 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.23 132.59 36.06 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.823 -0.548 . . . . 0.0 110.692 174.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.6 mt -122.22 127.29 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.365 1.466 . . . . 0.0 111.155 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.0 p . . . . . 0 N--CA 1.471 0.616 0 O-C-N 121.224 -0.923 . . . . 0.0 110.271 174.277 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.75 -34.05 1.02 Allowed Glycine 0 CA--C 1.531 1.057 0 C-N-CA 127.021 2.248 . . . . 0.0 111.834 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -66.0 -18.33 65.27 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 118.033 0.917 . . . . 0.0 109.998 169.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.93 -26.77 68.38 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.736 1.614 . . . . 0.0 112.855 175.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 m -111.33 138.79 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.375 1.07 . . . . 0.0 112.197 -174.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.99 -40.19 94.59 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.861 1.265 . . . . 0.0 110.693 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 11' ' ' PRO . 28.7 mtmm -134.7 138.8 44.71 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.626 1.971 . . . . 0.0 108.969 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.09 124.65 29.39 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.693 0.797 . . . . 0.0 109.272 175.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 46.1 59.88 14.83 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 124.844 1.258 . . . . 0.0 113.027 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.404 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 71.7 Cg_endo -62.98 144.51 93.19 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.42 2.747 . . . . 0.0 111.615 -178.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -77.29 144.3 38.21 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.358 -1.464 . . . . 0.0 109.43 175.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.6 mmm-85 -116.92 30.01 7.58 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.11 0.964 . . . . 0.0 113.522 -176.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.33 12.67 13.25 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 126.156 1.836 . . . . 0.0 116.604 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 120.21 -2.49 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.132 1 C-N-CA 132.662 4.385 . . . . 0.0 115.576 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.419 HG22 HD13 ' A' ' 18' ' ' LEU . 88.7 m -65.31 117.47 7.9 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 120.881 -1.137 . . . . 0.0 112.737 -175.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.0 m -122.41 108.71 13.51 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.752 1.221 . . . . 0.0 110.121 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.419 HD13 HG22 ' A' ' 16' ' ' THR . 6.1 mp -118.83 146.63 44.7 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.043 1.737 . . . . 0.0 113.489 -175.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.41 -6.21 44.61 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.403 1.881 . . . . 0.0 113.209 176.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -148.78 152.45 36.57 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.498 1.119 . . . . 0.0 112.591 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.15 -175.77 16.38 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.535 1.541 . . . . 0.0 114.34 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -151.72 117.49 5.45 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.353 2.261 . . . . 0.0 108.337 176.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -74.86 76.71 2.13 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.3 mt -52.05 -30.43 25.66 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -178.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.8 mt -69.49 -16.48 63.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.72 1.208 . . . . 0.0 113.567 176.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -107.89 -30.68 8.36 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.841 1.256 . . . . 0.0 109.982 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -67.7 112.16 4.65 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.982 0.81 . . . . 0.0 109.96 174.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 p -93.28 8.74 39.12 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.6 1.16 . . . . 0.0 112.537 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.21 150.12 25.42 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.175 1.369 . . . . 0.0 109.909 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.67 169.87 0.13 Allowed 'General case' 0 C--O 1.239 0.52 0 C-N-CA 125.955 1.702 . . . . 0.0 114.094 -177.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -128.59 -12.04 4.95 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 114.529 -1.214 . . . . 0.0 112.584 171.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 36.6 t -72.94 -35.49 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 119.946 1.248 . . . . 0.0 109.043 171.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.6 p -130.77 -17.62 3.17 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.53 16.73 0.48 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.541 1.936 . . . . 0.0 116.059 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -82.88 149.52 27.06 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 119.73 -1.856 . . . . 0.0 112.895 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -125.48 160.98 28.13 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.607 1.563 . . . . 0.0 109.989 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.274 4.0 p30 52.88 26.06 4.37 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.119 1.768 . . . . 0.0 114.551 -174.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -123.15 98.95 6.11 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 128.918 2.887 . . . . 0.0 111.326 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.06 149.42 15.99 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 176.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.33 166.53 17.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 131.02 3.728 . . . . 0.0 109.172 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.8 mt -127.57 134.34 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 125.629 1.572 . . . . 0.0 106.881 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.457 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -149.61 177.81 9.42 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.692 0.797 . . . . 0.0 111.07 178.002 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.1 t30 57.63 20.18 6.07 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.627 1.171 . . . . 0.0 113.479 174.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -61.32 114.68 3.32 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 127.182 2.193 . . . . 0.0 112.833 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.5 m -107.53 156.09 19.38 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.822 1.649 . . . . 0.0 111.783 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -139.63 137.7 35.51 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.581 1.552 . . . . 0.0 109.698 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -131.94 146.63 52.21 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 126.576 1.951 . . . . 0.0 111.097 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -138.95 116.32 11.19 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.764 0.316 . . . . 0.0 110.818 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -118.79 121.43 40.05 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.007 1.323 . . . . 0.0 113.096 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 t70 45.01 20.43 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.31 0 N-CA-C 118.389 2.737 . . . . 0.0 118.389 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.34 -21.03 9.44 Favored Glycine 0 N--CA 1.478 1.439 0 C-N-CA 126.302 1.906 . . . . 0.0 113.271 -176.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -74.55 137.45 42.41 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.242 1.417 . . . . 0.0 108.956 174.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -118.1 129.86 55.79 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.56 1.544 . . . . 0.0 108.735 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.414 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.84 139.1 51.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 C-N-CA 123.844 0.858 . . . . 0.0 109.421 -178.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.49 118.05 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.8 1.24 . . . . 0.0 109.028 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.7 p -121.95 135.3 54.85 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.636 0.774 . . . . 0.0 111.748 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -154.13 -168.53 2.98 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.994 -1.066 . . . . 0.0 113.165 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -141.67 158.34 43.94 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.383 1.073 . . . . 0.0 109.778 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -108.45 138.92 43.94 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 172.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.457 ' CD1' HG22 ' A' ' 42' ' ' THR . 6.0 mp -132.41 131.34 41.69 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.462 1.105 . . . . 0.0 110.41 -175.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.4 t -57.79 124.02 17.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.53 1.132 . . . . 0.0 110.888 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -62.78 -13.82 37.74 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.092 -1.63 . . . . 0.0 111.749 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -94.82 -67.45 0.85 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.358 1.063 . . . . 0.0 111.783 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.6 p -92.6 -6.54 49.27 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.312 70.3 m80 52.54 21.41 1.79 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.399 1.88 . . . . 0.0 114.973 -176.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.19 146.65 52.24 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.186 1.394 . . . . 0.0 107.46 169.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.5 t -75.14 105.38 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 121.593 -0.692 . . . . 0.0 109.847 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.1 mt -60.82 -44.71 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 125.498 1.519 . . . . 0.0 110.794 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -164.67 163.93 21.51 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.764 1.226 . . . . 0.0 111.997 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -109.91 142.74 40.83 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.132 1.373 . . . . 0.0 108.596 173.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -123.81 137.96 54.58 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.854 1.661 . . . . 0.0 111.527 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -138.07 131.54 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.607 1.163 . . . . 0.0 108.77 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -130.9 126.22 35.58 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 174.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.414 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -128.93 135.78 49.49 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -128.55 126.57 40.62 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.017 0.927 . . . . 0.0 109.685 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.74 142.82 51.21 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.576 1.95 . . . . 0.0 113.602 -176.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.3 mt -109.6 121.98 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 O-C-N 121.136 -0.977 . . . . 0.0 109.68 174.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.49 115.69 24.57 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.792 1.237 . . . . 0.0 114.221 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.1 t0 51.84 -69.04 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 128.459 2.704 . . . . 0.0 117.184 175.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -135.79 6.79 3.2 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.917 2.087 . . . . 0.0 112.179 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.92 170.29 15.09 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 120.796 -1.19 . . . . 0.0 109.909 -175.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -121.69 143.46 49.34 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 124.956 1.302 . . . . 0.0 109.194 175.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -122.17 130.68 53.44 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 126.848 2.059 . . . . 0.0 109.562 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -121.81 129.61 52.77 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 125.043 1.337 . . . . 0.0 109.035 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -140.0 143.02 36.26 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 122.066 0.936 . . . . 0.0 109.044 177.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.7 ttp -137.71 145.53 42.65 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 125.732 1.613 . . . . 0.0 109.299 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 tp -151.23 105.79 3.25 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.256 1.823 . . . . 0.0 110.098 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.8 t -142.35 136.01 29.21 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 126.261 1.824 . . . . 0.0 109.764 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.9 tp -59.57 -34.18 72.38 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.073 0.949 . . . . 0.0 111.824 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.5 tp -94.59 -63.36 1.19 Allowed 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.882 1.273 . . . . 0.0 111.55 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 80.4 m -65.77 -38.68 89.71 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.626 1.17 . . . . 0.0 113.494 -173.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.82 174.16 13.59 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 118.309 2.084 . . . . 0.0 118.309 173.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -113.47 116.81 30.18 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.325 1.45 . . . . 0.0 109.894 174.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.74 157.35 44.45 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -150.12 138.97 20.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.211 1.005 . . . . 0.0 111.216 176.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -141.69 152.41 43.85 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.145 1.778 . . . . 0.0 111.589 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.6 m -136.59 133.79 36.72 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.701 -0.625 . . . . 0.0 110.711 174.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.0 mt -122.22 126.54 74.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.306 1.442 . . . . 0.0 110.755 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.8 p . . . . . 0 N--CA 1.47 0.556 0 O-C-N 121.217 -0.927 . . . . 0.0 109.617 173.909 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.72 -34.01 1.02 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 127.041 2.258 . . . . 0.0 111.669 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -66.15 -18.38 65.31 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.732 -0.864 . . . . 0.0 110.054 169.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 84.5 m -62.89 -24.73 67.96 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.959 1.703 . . . . 0.0 112.947 175.058 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.1 m -113.31 139.86 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.469 1.107 . . . . 0.0 111.827 -174.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -65.45 -38.56 90.19 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.841 -1.162 . . . . 0.0 111.113 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -136.41 143.72 44.1 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.583 1.953 . . . . 0.0 109.373 175.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -81.66 125.42 30.55 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.059 0.943 . . . . 0.0 109.416 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 45.6 59.75 14.44 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.853 1.261 . . . . 0.0 113.077 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -62.47 146.08 95.57 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.2 2.6 . . . . 0.0 111.361 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -76.37 145.64 39.3 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.583 -1.323 . . . . 0.0 109.13 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 -120.87 29.22 7.49 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.99 37.89 72.89 Favored Glycine 0 CA--C 1.536 1.39 0 O-C-N 121.973 -0.454 . . . . 0.0 112.907 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 79.72 9.4 1.51 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 128.396 2.678 . . . . 0.0 114.731 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.437 HG22 HD13 ' A' ' 18' ' ' LEU . 95.2 m -72.22 118.2 14.81 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.214 -1.554 . . . . 0.0 111.375 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.3 m -122.2 109.45 14.5 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.459 1.103 . . . . 0.0 110.552 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.437 HD13 HG22 ' A' ' 16' ' ' THR . 6.8 mp -121.27 149.39 42.95 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.855 1.662 . . . . 0.0 114.093 -174.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.88 1.98 40.49 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.472 2.309 . . . . 0.0 112.824 176.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -141.34 157.5 45.11 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.491 1.516 . . . . 0.0 112.801 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.76 -177.57 33.08 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.116 1.341 . . . . 0.0 116.004 175.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.7 m -147.84 121.79 9.4 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 128.297 2.639 . . . . 0.0 108.57 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -75.06 77.07 2.24 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.5 mt -51.72 -31.16 25.12 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.8 mt -68.43 -17.85 64.3 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.528 1.131 . . . . 0.0 113.393 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -104.24 -33.01 8.84 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.484 1.114 . . . . 0.0 110.135 174.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -66.53 111.48 3.62 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.64 -0.662 . . . . 0.0 110.67 176.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 p -93.64 7.21 45.61 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.699 1.2 . . . . 0.0 112.835 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.41 148.01 23.29 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.468 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.9 t -53.51 166.24 0.31 Allowed 'General case' 0 C--O 1.239 0.515 0 C-N-CA 125.23 1.412 . . . . 0.0 113.979 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.433 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.61 -11.88 6.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.498 1.119 . . . . 0.0 112.702 172.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 36.1 t -72.12 -35.11 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 120.056 1.298 . . . . 0.0 109.025 171.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.7 p -130.74 -15.67 3.44 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t 80.85 21.17 0.42 Allowed 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -91.84 144.27 25.66 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.201 -1.562 . . . . 0.0 113.394 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.8 ttt-85 -120.27 162.57 19.19 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.585 1.554 . . . . 0.0 109.437 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.285 3.4 p30 54.52 20.6 2.91 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 126.168 1.787 . . . . 0.0 114.905 -174.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -119.21 100.78 7.54 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 128.771 2.828 . . . . 0.0 110.462 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.6 ptp -164.69 148.23 8.96 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.22 166.73 19.68 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 131.332 3.853 . . . . 0.0 109.763 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 88.4 mt -127.9 134.9 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.867 1.667 . . . . 0.0 106.539 173.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.448 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -148.72 177.59 9.38 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.655 0.782 . . . . 0.0 111.22 178.119 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.0 t30 58.24 17.78 4.9 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.777 1.231 . . . . 0.0 113.621 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -58.08 111.83 1.32 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 127.224 2.21 . . . . 0.0 112.626 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.5 m -107.47 155.38 20.12 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 125.625 1.57 . . . . 0.0 111.931 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -139.35 137.74 36.03 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.546 1.538 . . . . 0.0 110.149 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -131.99 146.66 52.22 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.482 1.913 . . . . 0.0 111.049 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.81 116.34 11.31 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.74 0.305 . . . . 0.0 110.796 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -118.84 121.42 39.97 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.964 1.306 . . . . 0.0 113.023 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.5 t70 44.98 20.53 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.304 0 N-CA-C 118.432 2.753 . . . . 0.0 118.432 171.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.52 -21.11 9.3 Favored Glycine 0 N--CA 1.477 1.398 0 C-N-CA 126.381 1.943 . . . . 0.0 113.428 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -74.73 137.71 42.25 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.257 1.423 . . . . 0.0 108.987 174.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -117.99 129.9 55.87 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.441 1.496 . . . . 0.0 108.785 176.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.403 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.87 139.21 51.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 123.848 0.859 . . . . 0.0 109.474 -178.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.2 t -132.39 118.17 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 124.913 1.285 . . . . 0.0 109.036 177.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.4 p -122.02 135.1 54.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.529 0.732 . . . . 0.0 112.041 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -153.19 -168.84 3.14 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.104 -0.997 . . . . 0.0 113.507 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -141.75 158.35 43.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.709 1.204 . . . . 0.0 109.353 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -109.91 137.86 47.11 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 105.987 -1.856 . . . . 0.0 105.987 172.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.448 ' CD1' HG22 ' A' ' 42' ' ' THR . 6.1 mp -131.93 132.04 43.2 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.767 1.227 . . . . 0.0 110.603 -174.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.7 t -59.31 125.44 23.65 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.382 1.073 . . . . 0.0 111.036 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -63.47 -13.07 36.85 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.215 -1.553 . . . . 0.0 111.891 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -95.58 -66.36 0.91 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.291 1.036 . . . . 0.0 111.682 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.8 p -94.09 -6.24 45.52 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 -178.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.305 66.2 m80 52.46 20.96 1.6 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.487 1.915 . . . . 0.0 114.974 -176.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.93 146.48 53.56 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.043 1.337 . . . . 0.0 107.502 169.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.8 t -75.41 105.16 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 O-C-N 121.712 -0.618 . . . . 0.0 109.788 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.8 mt -60.08 -44.38 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 125.802 1.641 . . . . 0.0 110.671 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -164.91 163.17 21.01 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.844 1.258 . . . . 0.0 111.999 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -109.96 142.11 41.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.105 1.362 . . . . 0.0 108.843 172.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -122.24 138.55 54.45 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.02 1.728 . . . . 0.0 111.675 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -139.51 130.36 26.14 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.456 1.103 . . . . 0.0 108.939 175.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -129.44 126.84 39.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 173.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.403 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -129.26 135.77 49.21 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -128.7 127.18 41.6 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.093 0.957 . . . . 0.0 110.003 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.32 142.98 50.97 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.428 1.891 . . . . 0.0 113.615 -176.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.11 121.95 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 O-C-N 121.068 -1.02 . . . . 0.0 109.855 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.45 115.78 24.77 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.754 1.222 . . . . 0.0 113.883 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 50.77 -69.58 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.471 2.708 . . . . 0.0 117.469 176.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -135.36 6.47 3.29 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.895 2.078 . . . . 0.0 111.986 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.29 170.23 15.34 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 121.007 -1.058 . . . . 0.0 109.724 -175.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -122.39 143.49 49.63 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.968 1.307 . . . . 0.0 109.365 175.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -121.58 130.42 53.5 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 126.785 2.034 . . . . 0.0 109.612 -178.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -121.87 130.09 53.1 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 125.094 1.358 . . . . 0.0 109.177 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.92 143.27 36.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 122.223 1.011 . . . . 0.0 109.579 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.7 ttp -138.95 144.91 39.22 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.766 1.626 . . . . 0.0 109.237 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 tp -151.76 105.41 3.12 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.102 1.761 . . . . 0.0 110.025 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.7 t -141.6 136.15 30.74 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.267 1.827 . . . . 0.0 109.758 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.9 tp -59.8 -34.19 72.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.017 0.927 . . . . 0.0 111.802 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.1 tp -94.99 -63.99 1.11 Allowed 'General case' 0 C--O 1.231 0.129 0 C-N-CA 125.134 1.373 . . . . 0.0 111.128 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.7 m -64.5 -37.63 88.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.028 0.931 . . . . 0.0 113.396 -173.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.08 175.22 14.0 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 117.61 1.804 . . . . 0.0 117.61 173.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -111.62 120.92 43.7 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 125.127 1.371 . . . . 0.0 110.093 174.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.75 157.17 44.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.436 1.095 . . . . 0.0 113.92 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -151.83 137.71 18.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.963 0.905 . . . . 0.0 110.838 174.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -141.87 152.46 43.63 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.143 1.777 . . . . 0.0 111.615 178.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.87 133.47 37.79 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 121.799 -0.563 . . . . 0.0 110.533 174.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.3 mt -122.22 125.83 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.117 1.367 . . . . 0.0 110.739 -177.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.2 p . . . . . 0 N--CA 1.469 0.497 0 O-C-N 121.437 -0.789 . . . . 0.0 109.703 174.013 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.78 -33.94 1.03 Allowed Glycine 0 CA--C 1.533 1.169 0 C-N-CA 126.851 2.167 . . . . 0.0 111.792 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -66.54 -18.02 65.13 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 117.993 0.896 . . . . 0.0 110.088 169.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.97 -27.43 68.85 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.971 1.708 . . . . 0.0 112.767 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.1 m -110.66 139.27 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.584 1.154 . . . . 0.0 111.686 -175.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -64.5 -40.47 95.71 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.686 1.194 . . . . 0.0 110.617 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -134.27 141.96 47.15 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.97 2.108 . . . . 0.0 109.335 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -81.73 123.68 28.96 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.592 0.757 . . . . 0.0 109.09 174.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 47.1 60.13 15.5 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.72 1.208 . . . . 0.0 113.103 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -62.97 145.04 94.19 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.115 2.543 . . . . 0.0 111.577 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -77.68 143.91 37.76 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.589 -1.319 . . . . 0.0 109.481 175.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -119.04 30.92 6.9 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -175.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.83 37.42 69.54 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 123.474 0.559 . . . . 0.0 113.025 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.34 6.82 0.74 Allowed 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 128.774 2.829 . . . . 0.0 114.743 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.413 HG22 HD13 ' A' ' 18' ' ' LEU . 95.7 m -70.6 117.72 12.5 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.332 -1.48 . . . . 0.0 111.44 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.6 m -121.76 109.08 14.27 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.643 1.177 . . . . 0.0 110.247 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.413 HD13 HG22 ' A' ' 16' ' ' THR . 6.0 mp -118.65 146.36 44.74 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.108 1.763 . . . . 0.0 113.584 -175.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.27 -4.37 42.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.646 1.978 . . . . 0.0 113.032 176.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -144.61 157.41 44.22 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.07 -171.64 19.94 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.766 1.65 . . . . 0.0 115.015 176.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.1 m -148.49 120.98 8.5 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.7 2.4 . . . . 0.0 108.238 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -75.26 77.92 2.37 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -174.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.5 mt -51.66 -29.33 17.51 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -177.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.35 -19.31 63.06 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -102.66 -33.74 9.33 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.491 1.116 . . . . 0.0 109.559 175.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -66.0 109.32 2.51 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.657 0.662 . . . . 0.0 110.084 175.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -90.44 6.9 41.41 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.317 1.047 . . . . 0.0 112.135 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.05 151.3 27.8 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.485 1.516 . . . . 0.0 109.584 -175.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.9 t -53.47 169.55 0.13 Allowed 'General case' 0 C--O 1.239 0.519 0 C-N-CA 125.87 1.668 . . . . 0.0 114.213 -177.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.431 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.09 -11.68 5.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.375 171.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.3 t -73.6 -35.55 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 119.74 1.155 . . . . 0.0 109.136 171.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.0 p -131.41 -16.79 3.03 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 116.245 1.942 . . . . 0.0 116.245 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t 80.8 15.42 0.65 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -82.26 149.25 27.93 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.034 -1.666 . . . . 0.0 112.908 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -124.27 160.65 27.51 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 125.648 1.579 . . . . 0.0 110.165 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.1 27.14 4.3 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.298 1.839 . . . . 0.0 114.908 -175.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.82 99.56 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 128.782 2.833 . . . . 0.0 111.14 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.73 150.03 18.83 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 177.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.48 166.47 17.88 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 131.106 3.762 . . . . 0.0 109.572 178.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.6 mt -127.66 133.37 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 126.206 1.802 . . . . 0.0 107.031 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.453 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -146.57 172.41 13.62 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.671 0.788 . . . . 0.0 111.705 178.731 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.266 0.0 OUTLIER 56.97 12.0 1.1 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.443 2.297 . . . . 0.0 115.213 179.435 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -51.91 112.39 0.77 Allowed 'General case' 0 C--O 1.234 0.261 0 C-N-CA 127.79 2.436 . . . . 0.0 113.706 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.4 m -107.54 156.18 19.28 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.392 1.477 . . . . 0.0 112.5 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -139.66 137.77 35.52 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.908 1.683 . . . . 0.0 109.517 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -132.07 146.66 52.2 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 126.384 1.874 . . . . 0.0 111.114 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -138.78 116.27 11.27 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.851 0.358 . . . . 0.0 110.792 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -118.9 121.5 40.12 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.163 1.385 . . . . 0.0 113.134 175.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 44.9 20.83 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 118.442 2.756 . . . . 0.0 118.442 172.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.05 -20.99 9.63 Favored Glycine 0 N--CA 1.477 1.392 0 C-N-CA 126.329 1.918 . . . . 0.0 113.381 -177.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -74.68 137.53 42.21 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.273 1.429 . . . . 0.0 109.0 174.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -118.06 129.76 55.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.714 1.606 . . . . 0.0 108.841 176.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.83 139.37 50.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 123.869 0.868 . . . . 0.0 109.312 -178.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.3 t -132.51 118.13 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.649 1.18 . . . . 0.0 108.682 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.0 p -122.04 134.25 54.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.742 0.817 . . . . 0.0 111.708 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -154.16 -170.83 3.67 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.177 -0.952 . . . . 0.0 113.265 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.61 158.19 44.15 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.918 1.287 . . . . 0.0 108.718 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -112.23 140.43 46.94 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.157 1.383 . . . . 0.0 108.059 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.453 HD11 HG22 ' A' ' 42' ' ' THR . 6.3 mp -132.18 133.81 44.64 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.698 1.199 . . . . 0.0 110.889 -176.12 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.0 t -59.07 123.3 16.16 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.401 1.08 . . . . 0.0 110.611 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -63.08 -12.6 28.02 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 120.097 -1.627 . . . . 0.0 111.769 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -95.5 -67.98 0.82 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.503 1.121 . . . . 0.0 111.685 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.51 -6.17 50.28 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.29 70.7 m80 53.37 20.73 2.07 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.45 1.9 . . . . 0.0 115.067 -177.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.91 146.62 52.65 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.041 1.336 . . . . 0.0 107.676 169.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.7 t -75.65 105.1 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 121.617 -0.677 . . . . 0.0 110.038 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.9 mt -61.82 -45.82 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.485 1.514 . . . . 0.0 111.166 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.4 168.55 20.19 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.497 1.119 . . . . 0.0 112.636 -175.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.62 140.4 49.44 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.038 1.735 . . . . 0.0 109.157 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.72 139.32 54.11 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.077 1.751 . . . . 0.0 112.757 -177.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -140.09 131.81 27.37 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.637 1.175 . . . . 0.0 108.836 174.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -131.24 126.5 35.64 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.74 135.84 49.75 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -129.41 126.53 39.01 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.992 0.917 . . . . 0.0 110.076 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.6 142.89 51.24 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.494 1.917 . . . . 0.0 113.522 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.11 121.93 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 120.982 -1.074 . . . . 0.0 109.674 174.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.9 ptp -119.34 115.77 24.82 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.679 1.192 . . . . 0.0 113.596 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 50.25 -72.79 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.213 2.605 . . . . 0.0 116.891 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -132.36 7.69 4.24 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.061 2.144 . . . . 0.0 112.173 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -133.26 170.44 15.44 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.591 -1.318 . . . . 0.0 109.684 -176.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -122.08 143.54 49.46 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.358 1.463 . . . . 0.0 109.247 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -121.98 130.17 53.08 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 126.781 2.033 . . . . 0.0 109.636 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -122.08 130.18 53.04 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 125.002 1.321 . . . . 0.0 109.299 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.89 142.69 36.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.1 0.952 . . . . 0.0 109.385 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.4 ttp -139.09 145.27 39.3 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 125.792 1.637 . . . . 0.0 109.321 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.76 105.42 3.12 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.23 1.812 . . . . 0.0 110.311 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.6 t -142.47 136.93 29.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.16 1.784 . . . . 0.0 110.137 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.1 tp -59.03 -34.12 71.54 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.275 1.03 . . . . 0.0 111.805 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.7 tp -96.64 -63.23 1.16 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 125.159 1.383 . . . . 0.0 111.25 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 69.8 m -64.45 -37.32 87.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -173.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.93 174.94 13.9 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 172.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.43 117.74 32.57 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.148 1.379 . . . . 0.0 110.35 174.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.67 157.21 44.57 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -150.38 137.76 19.63 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.325 1.05 . . . . 0.0 110.906 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -141.76 152.48 43.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.418 1.887 . . . . 0.0 111.911 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -136.5 133.39 36.46 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.486 -0.758 . . . . 0.0 110.577 174.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.2 mt -122.22 126.8 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.297 1.439 . . . . 0.0 110.769 -177.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.1 p . . . . . 0 N--CA 1.469 0.502 0 O-C-N 121.322 -0.861 . . . . 0.0 109.691 174.186 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.98 -35.17 1.05 Allowed Glycine 0 CA--C 1.531 1.072 0 C-N-CA 126.896 2.189 . . . . 0.0 111.401 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -66.24 -17.53 64.8 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.828 -0.807 . . . . 0.0 109.936 169.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.467 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 78.6 m -62.6 -26.95 68.87 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.962 1.705 . . . . 0.0 112.69 174.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 m -110.96 140.51 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 121.177 -0.952 . . . . 0.0 112.217 -174.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -65.31 -41.55 93.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.798 1.239 . . . . 0.0 110.368 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -132.79 140.97 48.25 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.953 2.101 . . . . 0.0 109.248 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -81.7 123.52 28.8 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.65 0.78 . . . . 0.0 109.043 175.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 46.88 60.24 15.2 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 124.808 1.243 . . . . 0.0 113.139 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -62.77 146.69 95.16 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.249 2.633 . . . . 0.0 111.389 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -77.91 145.7 36.01 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.242 -1.537 . . . . 0.0 109.394 175.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -119.21 28.46 8.22 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -174.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.04 44.15 96.47 Favored Glycine 0 CA--C 1.534 1.257 0 O-C-N 121.934 -0.479 . . . . 0.0 112.051 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 m120 67.88 23.68 8.31 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 126.59 1.956 . . . . 0.0 114.452 -179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.432 HG22 HD13 ' A' ' 18' ' ' LEU . 91.6 m -88.5 120.21 29.67 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 120.552 -1.343 . . . . 0.0 110.943 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.3 m -121.89 110.04 15.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.472 1.109 . . . . 0.0 110.589 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.432 HD13 HG22 ' A' ' 16' ' ' THR . 6.0 mp -119.19 145.5 45.97 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.343 1.857 . . . . 0.0 113.577 -175.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.05 -4.44 49.46 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.511 1.924 . . . . 0.0 113.255 176.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -148.24 153.28 38.51 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.231 1.013 . . . . 0.0 112.823 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.83 -175.8 15.97 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.661 1.6 . . . . 0.0 114.42 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.1 m -151.14 118.82 6.11 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.58 2.352 . . . . 0.0 108.307 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -75.73 77.13 2.69 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -174.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.0 mt -52.73 -25.41 11.02 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.4 mt -75.12 -17.39 60.43 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.623 1.169 . . . . 0.0 113.063 176.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -104.47 -32.59 8.93 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.041 1.337 . . . . 0.0 110.013 175.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -65.73 105.1 1.18 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.84 0.745 . . . . 0.0 111.394 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.7 p -81.06 -4.83 56.56 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 121.072 -1.018 . . . . 0.0 112.851 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.03 148.94 20.84 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 125.914 1.721 . . . . 0.0 109.223 -175.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.467 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 8.3 t -53.28 165.55 0.34 Allowed 'General case' 0 C--O 1.239 0.539 0 C-N-CA 125.255 1.422 . . . . 0.0 114.099 -177.378 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -124.89 -11.24 7.17 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.337 1.055 . . . . 0.0 112.324 172.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.56 -34.94 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 119.742 1.155 . . . . 0.0 109.001 171.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 p -132.09 -14.94 3.0 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.39 23.38 0.29 Allowed 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -95.31 138.74 32.59 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 119.709 -1.869 . . . . 0.0 113.92 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -113.16 161.59 16.96 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.083 1.753 . . . . 0.0 109.592 174.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.264 4.1 p30 51.76 26.48 3.52 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.48 1.912 . . . . 0.0 115.038 -176.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -123.05 98.82 6.07 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 128.72 2.808 . . . . 0.0 111.093 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.14 149.81 16.17 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 176.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.37 165.93 18.82 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 131.101 3.76 . . . . 0.0 109.044 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.1 mt -127.52 134.38 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -149.13 177.43 9.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.689 0.796 . . . . 0.0 111.231 178.219 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.4 t30 57.91 18.18 4.83 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 124.836 1.255 . . . . 0.0 113.713 174.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -57.71 113.9 2.04 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.115 2.166 . . . . 0.0 112.508 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.9 m -107.54 156.09 19.39 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 125.802 1.641 . . . . 0.0 111.663 176.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -139.97 137.73 34.96 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.517 1.527 . . . . 0.0 109.852 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -132.07 146.64 52.19 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.288 1.835 . . . . 0.0 111.41 -178.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -139.3 116.42 11.06 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 117.912 0.324 . . . . 0.0 111.77 177.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.91 121.43 39.95 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.155 1.382 . . . . 0.0 113.364 173.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 45.18 20.78 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 118.439 2.755 . . . . 0.0 118.439 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.41 -20.93 9.43 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 126.133 1.825 . . . . 0.0 113.181 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -74.08 137.21 43.17 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.919 1.287 . . . . 0.0 108.876 174.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -118.04 129.86 55.82 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 125.427 1.491 . . . . 0.0 108.683 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.13 138.53 52.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 123.979 0.911 . . . . 0.0 109.499 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.45 118.1 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 124.716 1.207 . . . . 0.0 108.964 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -121.99 135.26 54.83 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.656 0.782 . . . . 0.0 111.641 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -153.31 -168.81 3.12 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.991 -1.068 . . . . 0.0 113.037 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -141.74 158.29 43.99 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.534 1.134 . . . . 0.0 110.073 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -108.21 139.21 43.22 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 172.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.46 ' CD1' HG22 ' A' ' 42' ' ' THR . 5.8 mp -132.82 131.63 41.26 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 124.689 1.196 . . . . 0.0 110.28 -175.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.09 123.69 16.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.122 . . . . 0.0 111.245 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -62.6 -13.81 35.72 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 120.158 -1.589 . . . . 0.0 111.72 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -95.22 -66.48 0.91 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.403 1.081 . . . . 0.0 111.859 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.1 p -94.66 -5.58 45.28 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.312 69.5 m80 52.69 21.17 1.78 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.271 1.828 . . . . 0.0 115.067 -177.129 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.58 147.1 52.43 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 169.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.3 t -74.94 103.77 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.589 -0.695 . . . . 0.0 109.727 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.4 mt -60.68 -45.62 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.542 1.537 . . . . 0.0 110.997 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.49 164.46 24.39 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.758 1.223 . . . . 0.0 111.787 -176.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.3 142.15 45.15 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.312 1.445 . . . . 0.0 108.521 174.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -123.46 138.52 54.57 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.833 1.653 . . . . 0.0 111.677 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -138.86 131.51 28.99 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 124.496 1.118 . . . . 0.0 108.851 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -130.36 126.57 37.45 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 173.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.16 135.79 49.32 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -129.15 126.3 38.96 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.057 0.943 . . . . 0.0 110.002 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.38 142.89 51.31 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.626 1.971 . . . . 0.0 113.691 -176.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.24 121.92 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.117 -0.99 . . . . 0.0 109.822 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.43 115.74 24.71 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.652 1.181 . . . . 0.0 113.432 177.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 50.51 -74.18 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 128.169 2.587 . . . . 0.0 116.654 177.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -131.76 8.11 4.48 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.881 2.072 . . . . 0.0 112.199 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.9 170.34 15.02 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 120.61 -1.306 . . . . 0.0 109.524 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -123.17 143.6 49.9 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.09 1.356 . . . . 0.0 109.161 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -121.98 129.93 52.89 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 126.722 2.009 . . . . 0.0 109.759 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -121.54 130.03 53.27 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 125.019 1.328 . . . . 0.0 109.205 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.97 143.02 36.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.311 1.053 . . . . 0.0 109.391 177.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.1 ttp -138.82 144.55 39.36 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 125.769 1.628 . . . . 0.0 109.151 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.28 105.91 3.25 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.217 1.807 . . . . 0.0 110.119 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 37.7 t -141.87 136.36 30.45 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.284 1.834 . . . . 0.0 109.687 178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.92 -33.99 72.62 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.135 0.974 . . . . 0.0 111.855 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.4 tp -95.5 -63.41 1.16 Allowed 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.858 1.263 . . . . 0.0 111.226 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.1 m -64.67 -38.3 90.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -173.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.09 175.09 13.92 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 117.869 1.908 . . . . 0.0 117.869 173.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -113.82 117.82 32.53 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.316 1.447 . . . . 0.0 110.432 175.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.71 157.17 44.59 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.517 1.127 . . . . 0.0 113.668 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -150.26 137.71 19.73 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.392 1.077 . . . . 0.0 110.982 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -141.85 152.46 43.66 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.331 1.853 . . . . 0.0 111.67 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -135.68 135.73 40.32 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.323 -0.861 . . . . 0.0 110.714 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 9.8 mt -122.16 124.89 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.195 1.398 . . . . 0.0 110.497 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 C--N 1.326 -0.451 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.189 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.84 -33.79 1.04 Allowed Glycine 0 CA--C 1.531 1.078 0 C-N-CA 126.864 2.173 . . . . 0.0 111.878 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.51 -19.41 65.91 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 117.905 0.853 . . . . 0.0 109.928 169.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.1 m -61.68 -25.94 67.72 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.161 1.784 . . . . 0.0 113.25 175.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.1 m -111.97 139.06 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.639 1.176 . . . . 0.0 111.636 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.85 -38.56 91.4 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.894 -1.129 . . . . 0.0 111.135 177.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -136.85 144.14 43.45 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.628 1.971 . . . . 0.0 109.435 175.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -81.8 124.97 30.11 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.032 0.933 . . . . 0.0 109.395 175.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 45.67 59.4 14.92 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 124.937 1.295 . . . . 0.0 113.477 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -62.89 144.54 93.53 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.418 2.745 . . . . 0.0 111.668 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -76.26 143.06 41.18 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.916 -1.115 . . . . 0.0 109.15 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.32 30.9 6.87 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -175.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.62 37.06 66.43 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.431 0.538 . . . . 0.0 113.152 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 83.4 7.13 0.71 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.8 2.84 . . . . 0.0 114.749 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.408 HG22 HD13 ' A' ' 18' ' ' LEU . 95.9 m -70.43 116.16 10.45 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 120.22 -1.55 . . . . 0.0 111.495 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.2 m -120.81 109.92 15.73 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.579 1.151 . . . . 0.0 110.257 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.408 HD13 HG22 ' A' ' 16' ' ' THR . 6.1 mp -119.43 145.33 46.35 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.0 1.72 . . . . 0.0 113.491 -175.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.11 -6.29 42.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.295 1.838 . . . . 0.0 112.975 175.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -142.55 156.77 45.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.437 1.095 . . . . 0.0 113.649 -177.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.35 -166.54 13.34 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.513 1.53 . . . . 0.0 115.748 175.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 m -152.06 131.63 13.06 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.564 2.346 . . . . 0.0 108.118 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -87.76 75.87 8.88 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.59 -25.14 16.13 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.7 mt -72.39 -18.12 61.75 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.1 0.864 . . . . 0.0 112.984 175.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -103.27 -33.51 9.13 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.66 1.184 . . . . 0.0 110.056 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -66.05 111.03 3.17 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.483 0.583 . . . . 0.0 110.0 175.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.2 p -90.48 4.38 51.23 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.225 1.01 . . . . 0.0 112.191 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.46 150.87 27.64 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.477 1.513 . . . . 0.0 109.429 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 t -53.43 169.69 0.12 Allowed 'General case' 0 C--O 1.239 0.522 0 C-N-CA 125.542 1.537 . . . . 0.0 114.249 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.17 -11.75 5.81 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.411 171.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -73.67 -35.62 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 119.758 1.163 . . . . 0.0 109.081 171.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.2 p -131.08 -17.25 3.09 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 81.57 14.9 0.55 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -81.74 148.54 28.89 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.019 -1.676 . . . . 0.0 113.16 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -124.03 162.11 24.13 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.734 1.614 . . . . 0.0 109.806 175.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.284 4.0 p30 52.69 26.51 4.49 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.157 1.783 . . . . 0.0 114.964 -175.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -124.19 100.33 6.66 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 128.825 2.85 . . . . 0.0 111.613 -177.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.68 150.22 17.32 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 176.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.31 167.56 16.76 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 131.333 3.853 . . . . 0.0 110.086 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.8 mt -127.85 134.09 66.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 126.503 1.921 . . . . 0.0 107.081 175.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.448 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.64 173.41 12.77 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.663 0.785 . . . . 0.0 111.822 178.295 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.266 0.0 OUTLIER 56.87 12.22 1.12 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.58 2.352 . . . . 0.0 115.223 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -51.51 112.59 0.78 Allowed 'General case' 0 C--O 1.234 0.258 0 C-N-CA 127.729 2.412 . . . . 0.0 114.088 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.3 m -107.58 156.18 19.31 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.584 1.553 . . . . 0.0 112.642 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tt -139.5 137.77 35.79 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.833 1.653 . . . . 0.0 109.43 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -132.04 146.73 52.25 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 126.509 1.924 . . . . 0.0 111.184 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -138.86 116.25 11.2 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.77 0.319 . . . . 0.0 111.04 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -118.79 121.41 39.98 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.069 1.347 . . . . 0.0 113.093 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 45.03 20.31 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.274 0 N-CA-C 118.496 2.776 . . . . 0.0 118.496 171.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.45 -21.16 9.32 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 126.469 1.985 . . . . 0.0 113.357 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -74.53 137.28 42.34 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.313 1.445 . . . . 0.0 108.999 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -118.03 129.83 55.81 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.631 1.572 . . . . 0.0 108.791 176.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.49 139.68 49.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 123.963 0.905 . . . . 0.0 109.306 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.5 t -132.51 118.04 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.527 1.131 . . . . 0.0 108.521 177.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.3 p -122.06 134.25 54.78 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.891 0.876 . . . . 0.0 111.901 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -154.79 -170.59 3.56 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.128 -0.983 . . . . 0.0 113.164 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.7 158.21 44.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.899 1.279 . . . . 0.0 108.816 -178.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -111.88 140.99 46.08 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.165 1.386 . . . . 0.0 107.909 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.448 HD11 HG22 ' A' ' 42' ' ' THR . 6.3 mp -132.63 134.23 44.62 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.518 1.127 . . . . 0.0 110.958 -175.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.5 122.69 14.64 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.449 1.1 . . . . 0.0 110.428 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -62.32 -13.51 29.53 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.158 -1.589 . . . . 0.0 111.786 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -94.71 -68.2 0.81 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.503 1.121 . . . . 0.0 111.661 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.5 p -92.1 -6.27 51.19 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 73.0 m80 53.22 21.59 2.3 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.272 1.829 . . . . 0.0 115.04 -177.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.75 146.74 51.25 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.274 1.43 . . . . 0.0 107.488 169.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.5 t -75.61 105.73 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 121.521 -0.737 . . . . 0.0 109.927 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.12 -45.31 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.341 1.456 . . . . 0.0 111.095 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.53 167.33 21.55 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.562 1.145 . . . . 0.0 112.54 -175.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -114.76 140.75 48.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.756 1.623 . . . . 0.0 108.964 174.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -123.47 138.64 54.54 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 126.077 1.751 . . . . 0.0 112.354 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -139.76 132.03 28.26 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 124.506 1.122 . . . . 0.0 108.648 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -131.32 126.43 35.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 174.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.33 135.81 50.1 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -128.86 126.76 40.47 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.112 0.965 . . . . 0.0 110.014 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.99 142.89 51.11 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.464 1.906 . . . . 0.0 113.617 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -109.8 121.92 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 O-C-N 120.919 -1.113 . . . . 0.0 109.925 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.4 115.81 24.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.881 1.272 . . . . 0.0 114.213 177.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.0 t0 51.28 -68.7 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 128.605 2.762 . . . . 0.0 117.476 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -135.46 6.1 3.24 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.89 2.076 . . . . 0.0 112.055 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.09 171.29 13.81 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 120.697 -1.252 . . . . 0.0 109.837 -175.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -123.21 143.43 50.03 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 125.029 1.332 . . . . 0.0 109.29 176.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -121.18 130.45 53.71 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 126.899 2.08 . . . . 0.0 109.465 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -122.04 130.33 53.19 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 125.091 1.357 . . . . 0.0 109.189 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.9 142.27 36.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 122.039 0.924 . . . . 0.0 109.458 177.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.0 ttp -138.33 144.94 40.6 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 125.833 1.653 . . . . 0.0 109.461 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.91 105.1 3.06 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.056 1.742 . . . . 0.0 110.256 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.4 t -142.08 136.73 30.44 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.367 1.867 . . . . 0.0 110.077 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.9 tp -59.41 -34.13 72.08 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.123 0.969 . . . . 0.0 111.925 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 tp -96.31 -63.32 1.16 Allowed 'General case' 0 C--O 1.232 0.182 0 C-N-CA 125.027 1.331 . . . . 0.0 111.279 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 80.5 m -63.9 -38.26 90.42 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.894 0.878 . . . . 0.0 113.286 -173.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.16 175.63 14.15 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 117.338 1.695 . . . . 0.0 117.338 173.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -112.56 118.28 34.67 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.747 1.619 . . . . 0.0 110.355 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.77 157.24 44.52 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -150.55 137.75 19.41 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.165 0.986 . . . . 0.0 110.826 174.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -141.86 152.47 43.66 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.156 1.782 . . . . 0.0 111.718 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.03 133.25 37.25 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.819 -0.551 . . . . 0.0 110.59 175.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.7 mt -122.25 128.06 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.306 1.442 . . . . 0.0 111.118 -176.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.1 p . . . . . 0 N--CA 1.471 0.623 0 O-C-N 121.254 -0.904 . . . . 0.0 110.664 175.905 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.844 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.09 -35.33 1.08 Allowed Glycine 0 CA--C 1.532 1.116 0 C-N-CA 126.793 2.14 . . . . 0.0 111.339 -176.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -66.1 -18.58 65.44 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 117.91 0.855 . . . . 0.0 109.961 169.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 67.2 m -61.24 -27.7 68.64 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.229 1.811 . . . . 0.0 112.736 174.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 m -110.34 140.03 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.202 1.001 . . . . 0.0 111.751 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.71 -40.63 95.68 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.889 1.276 . . . . 0.0 110.415 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -134.72 141.51 46.52 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 127.107 2.163 . . . . 0.0 109.317 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -81.4 124.01 29.05 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.624 0.77 . . . . 0.0 109.117 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 46.77 60.34 14.96 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.746 1.218 . . . . 0.0 113.087 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -63.01 144.01 92.07 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.114 2.543 . . . . 0.0 111.291 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -77.0 143.74 39.18 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.491 -1.381 . . . . 0.0 109.458 175.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -116.12 30.86 7.08 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.97 12.03 10.11 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 126.125 1.822 . . . . 0.0 116.704 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 120.98 -0.31 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.121 1 C-N-CA 132.756 4.422 . . . . 0.0 115.689 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.419 HG22 HD13 ' A' ' 18' ' ' LEU . 91.0 m -68.48 117.01 9.69 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.852 -1.155 . . . . 0.0 112.623 -176.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.2 m -122.81 110.19 15.14 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.989 1.316 . . . . 0.0 110.379 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.419 HD13 HG22 ' A' ' 16' ' ' THR . 6.6 mp -121.75 149.23 43.58 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.945 1.698 . . . . 0.0 113.89 -175.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.23 1.96 39.44 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.261 2.224 . . . . 0.0 112.823 175.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -141.48 158.62 43.62 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.246 1.419 . . . . 0.0 113.152 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.94 -175.1 33.48 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 125.184 1.373 . . . . 0.0 116.051 175.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.6 m -146.2 123.24 11.41 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.98 2.512 . . . . 0.0 108.277 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -76.15 78.32 2.97 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -174.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 mt -53.3 -24.92 12.93 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -178.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.0 mt -74.31 -17.18 60.88 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.795 0.838 . . . . 0.0 112.943 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -105.56 -32.6 8.42 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.048 1.339 . . . . 0.0 110.083 176.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -65.64 104.93 1.11 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.958 0.799 . . . . 0.0 110.895 176.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.9 p -81.26 -5.95 58.34 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.392 -0.818 . . . . 0.0 112.394 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.29 150.08 21.63 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.408 1.956 . . . . 0.0 109.428 -176.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.46 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.7 t -52.42 163.74 0.39 Allowed 'General case' 0 C--O 1.238 0.499 0 C-N-CA 125.01 1.324 . . . . 0.0 114.215 -176.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.461 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -121.62 -10.87 8.73 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.234 1.014 . . . . 0.0 111.941 172.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.5 t -75.12 -35.08 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 119.546 1.066 . . . . 0.0 109.078 172.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.8 p -132.71 -13.03 2.94 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 80.48 18.87 0.56 Allowed 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -92.86 139.5 30.47 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 119.617 -1.927 . . . . 0.0 113.938 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -113.01 161.77 16.65 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 125.709 1.604 . . . . 0.0 110.087 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.261 4.1 p30 51.53 27.53 3.93 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 126.46 1.904 . . . . 0.0 115.296 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -122.51 99.26 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 128.471 2.708 . . . . 0.0 110.898 -178.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.62 150.86 19.75 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 177.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.96 165.94 19.29 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 131.399 3.879 . . . . 0.0 109.043 178.064 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.9 mt -128.48 134.98 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 125.942 1.697 . . . . 0.0 106.89 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.44 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.38 172.18 14.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.312 0.645 . . . . 0.0 111.771 178.899 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.279 0.0 OUTLIER 58.34 14.46 2.9 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.447 2.299 . . . . 0.0 115.275 178.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -51.59 112.41 0.75 Allowed 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 126.847 2.059 . . . . 0.0 113.241 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.2 m -107.53 156.09 19.38 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 125.463 1.505 . . . . 0.0 112.097 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.32 137.84 34.45 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.626 1.571 . . . . 0.0 110.069 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -131.67 146.68 52.31 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 126.485 1.914 . . . . 0.0 111.161 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.64 116.35 11.45 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.814 0.34 . . . . 0.0 110.867 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -118.96 121.45 39.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.351 1.46 . . . . 0.0 113.319 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 45.56 20.82 0.06 Allowed 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 118.38 2.733 . . . . 0.0 118.38 172.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.75 -21.11 9.82 Favored Glycine 0 N--CA 1.478 1.455 0 C-N-CA 126.272 1.891 . . . . 0.0 113.23 -177.069 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -75.12 136.6 41.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.011 1.324 . . . . 0.0 108.858 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -117.95 129.86 55.86 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 125.658 1.583 . . . . 0.0 108.683 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.62 139.49 50.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 123.885 0.874 . . . . 0.0 109.33 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.1 t -132.53 118.15 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 124.763 1.225 . . . . 0.0 108.895 177.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.0 p -121.95 134.76 54.83 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.61 0.764 . . . . 0.0 112.063 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -153.41 -170.58 3.64 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.65 158.17 44.16 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.256 1.423 . . . . 0.0 108.68 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -112.72 141.53 46.4 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.141 1.377 . . . . 0.0 108.156 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.44 ' CD1' HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.7 134.67 45.1 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.696 1.198 . . . . 0.0 110.959 -176.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -59.66 122.26 13.67 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.608 1.163 . . . . 0.0 110.811 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -62.28 -13.22 26.16 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 120.014 -1.679 . . . . 0.0 111.667 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -95.87 -63.27 1.17 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.635 1.174 . . . . 0.0 112.477 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.1 p -99.04 -4.53 32.25 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.771 1.396 . . . . 0.0 114.771 -178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 70.9 m80 53.5 20.34 2.03 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 126.498 1.919 . . . . 0.0 115.237 -177.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.06 147.1 52.83 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 169.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 82.9 t -76.01 104.72 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 121.462 -0.774 . . . . 0.0 109.947 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.7 mt -61.75 -46.36 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.737 1.615 . . . . 0.0 111.417 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.68 168.7 21.22 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.472 1.109 . . . . 0.0 112.631 -175.161 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -117.16 140.15 49.88 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.97 1.708 . . . . 0.0 109.145 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.25 139.11 54.39 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.098 1.759 . . . . 0.0 112.611 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -140.15 130.84 25.75 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.523 1.129 . . . . 0.0 108.873 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -129.86 127.0 39.32 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 173.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.78 135.81 49.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -128.64 127.8 42.9 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.197 0.999 . . . . 0.0 110.005 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.8 142.91 50.83 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.462 1.905 . . . . 0.0 113.577 -176.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -109.92 121.88 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 O-C-N 120.946 -1.096 . . . . 0.0 109.609 174.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.48 115.87 24.93 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.64 1.176 . . . . 0.0 114.097 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.3 t0 51.68 -68.52 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 128.562 2.745 . . . . 0.0 117.388 175.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -135.87 5.81 3.12 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.851 2.06 . . . . 0.0 112.156 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.28 171.05 13.78 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 120.786 -1.196 . . . . 0.0 109.885 -175.183 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -122.51 143.47 49.69 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.133 1.373 . . . . 0.0 109.009 176.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -122.03 130.05 52.95 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 126.902 2.081 . . . . 0.0 109.63 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -122.3 129.31 52.05 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.939 1.296 . . . . 0.0 109.455 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.84 142.22 36.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 122.218 1.009 . . . . 0.0 109.594 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.2 ttp -137.88 145.76 42.55 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.778 1.631 . . . . 0.0 109.401 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tp -151.8 104.86 3.06 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.388 1.875 . . . . 0.0 110.163 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.8 t -142.19 136.83 30.33 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.293 1.837 . . . . 0.0 110.01 178.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.4 tp -59.1 -34.13 71.65 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.198 0.999 . . . . 0.0 111.824 176.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.2 tp -96.46 -62.77 1.22 Allowed 'General case' 0 C--O 1.232 0.134 0 C-N-CA 125.038 1.335 . . . . 0.0 111.256 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.8 m -64.83 -37.69 88.48 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -173.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.64 174.67 13.8 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 117.642 1.817 . . . . 0.0 117.642 172.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.18 116.59 30.04 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.079 1.351 . . . . 0.0 109.909 174.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.72 157.32 44.48 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -149.44 138.78 21.48 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.26 1.024 . . . . 0.0 111.174 176.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -141.77 152.42 43.75 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.174 1.79 . . . . 0.0 111.733 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.24 134.2 37.84 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.889 -0.507 . . . . 0.0 110.574 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.16 126.22 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.159 1.384 . . . . 0.0 110.618 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.469 0.487 0 O-C-N 121.386 -0.821 . . . . 0.0 109.68 174.549 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.869 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.89 -34.63 1.04 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 127.047 2.261 . . . . 0.0 111.541 -177.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -66.05 -18.58 65.44 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.653 -0.91 . . . . 0.0 109.879 169.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 94.8 m -61.66 -26.87 68.28 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.847 1.659 . . . . 0.0 112.728 174.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.7 m -111.99 140.31 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.583 1.153 . . . . 0.0 112.182 -174.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -66.25 -37.73 86.21 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.855 -1.153 . . . . 0.0 111.413 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.58 143.73 41.68 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.541 1.936 . . . . 0.0 108.846 175.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -81.33 125.49 30.43 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.14 0.976 . . . . 0.0 109.452 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 45.67 59.66 14.62 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.946 1.298 . . . . 0.0 113.27 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -63.15 147.0 94.53 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.198 2.598 . . . . 0.0 111.361 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -78.95 144.28 34.96 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.176 -1.577 . . . . 0.0 109.448 175.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -119.64 31.41 6.57 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.89 36.94 68.08 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 123.382 0.515 . . . . 0.0 113.186 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 84.22 7.07 0.59 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 128.82 2.848 . . . . 0.0 114.739 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.411 HG22 HD13 ' A' ' 18' ' ' LEU . 95.7 m -69.49 118.49 12.44 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.296 -1.503 . . . . 0.0 111.584 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.7 m -122.99 109.84 14.62 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.65 1.18 . . . . 0.0 110.319 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.411 HD13 HG22 ' A' ' 16' ' ' THR . 5.9 mp -119.22 145.28 46.18 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.312 1.845 . . . . 0.0 113.685 -175.247 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.92 -6.85 38.19 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.816 2.047 . . . . 0.0 113.584 176.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -147.57 149.49 32.68 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.766 1.227 . . . . 0.0 111.705 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.09 -177.09 17.03 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.154 1.359 . . . . 0.0 114.624 177.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.5 m -151.96 116.46 5.06 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.574 2.35 . . . . 0.0 108.287 176.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.01 77.01 2.21 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 -174.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.6 mt -50.75 -31.07 15.63 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -177.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.4 mt -69.55 -20.44 63.68 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 177.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -100.56 -32.81 10.59 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.076 0.95 . . . . 0.0 109.904 174.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -66.07 110.6 3.01 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.252 0.549 . . . . 0.0 110.343 175.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.5 p -91.99 7.19 43.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.551 1.14 . . . . 0.0 112.484 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.66 149.19 24.89 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.919 1.247 . . . . 0.0 110.08 -176.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.465 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.0 t -53.19 167.49 0.18 Allowed 'General case' 0 C--O 1.238 0.481 0 C-N-CA 125.62 1.568 . . . . 0.0 114.218 -177.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.46 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.67 -12.41 6.04 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.269 172.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -72.99 -35.81 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 CA-C-N 119.889 1.222 . . . . 0.0 109.088 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.0 p -130.75 -16.05 3.38 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 81.55 16.11 0.5 Allowed 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -85.23 147.38 26.61 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.104 -1.622 . . . . 0.0 113.26 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -122.44 160.69 25.0 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.517 1.527 . . . . 0.0 110.146 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.273 3.9 p30 52.86 26.23 4.47 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.372 1.869 . . . . 0.0 114.691 -175.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -122.52 98.53 5.96 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 128.758 2.823 . . . . 0.0 111.254 -177.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.64 149.6 16.89 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 176.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.12 165.23 19.94 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 130.936 3.694 . . . . 0.0 109.561 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -125.76 132.2 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 125.645 1.578 . . . . 0.0 106.796 175.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.439 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -146.07 174.74 11.03 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.783 0.833 . . . . 0.0 110.73 177.751 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.3 t30 57.56 18.07 4.36 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 124.543 1.137 . . . . 0.0 113.485 174.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -60.84 109.92 1.19 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 127.542 2.337 . . . . 0.0 111.88 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.7 m -107.49 156.15 19.29 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.502 1.521 . . . . 0.0 112.12 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -138.49 137.81 37.48 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.573 1.549 . . . . 0.0 110.378 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -131.95 146.69 52.25 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 126.498 1.919 . . . . 0.0 111.536 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -138.92 116.31 11.2 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 117.855 0.298 . . . . 0.0 111.801 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.84 121.54 40.26 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.074 1.35 . . . . 0.0 113.185 173.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.7 t70 45.0 20.56 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 118.52 2.785 . . . . 0.0 118.52 172.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.63 -21.23 9.19 Favored Glycine 0 N--CA 1.479 1.504 0 C-N-CA 126.359 1.933 . . . . 0.0 113.07 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -74.23 136.32 42.73 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.989 1.316 . . . . 0.0 108.752 174.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -117.93 129.84 55.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.759 1.624 . . . . 0.0 108.624 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -122.89 138.22 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 124.164 0.986 . . . . 0.0 109.263 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.1 t -132.44 118.18 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.771 1.228 . . . . 0.0 109.069 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.5 p -122.04 132.97 54.78 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.649 0.78 . . . . 0.0 112.07 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -150.98 -168.16 3.03 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -141.71 158.36 43.91 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.895 1.278 . . . . 0.0 109.911 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -108.38 138.68 44.26 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 106.436 -1.691 . . . . 0.0 106.436 172.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.439 ' CD1' HG22 ' A' ' 42' ' ' THR . 5.9 mp -132.76 131.04 40.73 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.698 1.199 . . . . 0.0 110.241 -175.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.1 t -57.64 123.97 17.45 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.536 1.134 . . . . 0.0 111.137 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -62.92 -12.82 27.85 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 120.177 -1.577 . . . . 0.0 111.855 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -96.05 -66.29 0.92 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.388 1.075 . . . . 0.0 111.943 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.6 p -94.44 -5.75 45.56 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.308 64.8 m80 52.83 19.85 1.43 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 126.453 1.901 . . . . 0.0 114.964 -176.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.27 146.53 54.05 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 170.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.7 t -75.07 103.22 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 O-C-N 121.736 -0.602 . . . . 0.0 109.67 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.3 mt -60.08 -45.34 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.504 1.521 . . . . 0.0 110.909 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.96 164.78 23.1 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.704 1.201 . . . . 0.0 112.03 -176.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.01 145.3 37.25 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.372 1.469 . . . . 0.0 108.699 173.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -127.14 138.72 53.22 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.336 1.454 . . . . 0.0 112.073 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -139.55 132.96 30.13 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.573 1.149 . . . . 0.0 108.666 174.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -131.94 126.24 33.58 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 174.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.92 135.78 49.5 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -130.32 127.5 39.59 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.026 0.931 . . . . 0.0 110.349 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -126.2 142.81 51.38 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.861 2.064 . . . . 0.0 113.706 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.4 mt -114.34 121.46 66.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 171.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . 0.386 0.0 OUTLIER -119.96 121.05 38.12 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 174.55 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.5 t0 54.87 -67.93 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 128.719 2.807 . . . . 0.0 116.889 175.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -138.28 4.04 2.41 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.045 1.738 . . . . 0.0 112.652 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.39 173.38 11.14 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.675 1.125 . . . . 0.0 109.698 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -124.41 143.51 50.58 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 125.612 1.565 . . . . 0.0 109.091 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -122.64 130.93 53.53 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 127.798 2.439 . . . . 0.0 110.008 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -122.15 130.7 53.46 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 125.15 1.38 . . . . 0.0 109.09 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.86 143.1 36.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 122.209 1.004 . . . . 0.0 109.47 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 54.8 ttp -138.62 144.5 39.77 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 125.663 1.585 . . . . 0.0 109.017 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.08 105.05 3.19 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.143 1.777 . . . . 0.0 110.008 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.2 t -141.95 137.09 31.01 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 126.245 1.818 . . . . 0.0 109.906 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.09 -33.36 71.99 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.21 1.004 . . . . 0.0 112.04 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.5 tp -96.68 -63.02 1.18 Allowed 'General case' 0 C--O 1.232 0.153 0 C-N-CA 125.242 1.417 . . . . 0.0 111.314 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.4 m -64.47 -39.45 93.84 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.996 0.918 . . . . 0.0 112.883 -173.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.9 175.78 14.17 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 117.692 1.837 . . . . 0.0 117.692 173.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -113.32 117.89 33.07 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.249 1.42 . . . . 0.0 110.294 174.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.73 157.17 44.58 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -178.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -150.68 137.79 19.3 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.425 1.09 . . . . 0.0 111.139 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -141.73 152.51 43.89 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.261 1.825 . . . . 0.0 111.914 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -136.02 134.26 38.32 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.83 -0.544 . . . . 0.0 111.032 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.1 mt -122.21 127.26 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.665 1.586 . . . . 0.0 110.925 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.469 0.503 0 O-C-N 121.448 -0.782 . . . . 0.0 109.671 174.443 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.06 -35.04 1.07 Allowed Glycine 0 CA--C 1.532 1.145 0 C-N-CA 126.83 2.157 . . . . 0.0 111.318 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.0 -19.09 65.74 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.697 -0.884 . . . . 0.0 109.892 169.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 72.0 m -61.07 -27.6 68.47 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.239 1.816 . . . . 0.0 112.74 174.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 m -110.52 139.99 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.492 1.117 . . . . 0.0 111.781 -174.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.21 -40.77 94.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.856 1.263 . . . . 0.0 110.582 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -134.36 142.05 47.08 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 127.139 2.175 . . . . 0.0 109.31 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -81.98 124.17 29.53 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.562 0.745 . . . . 0.0 109.141 175.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 46.5 59.77 15.4 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.839 1.256 . . . . 0.0 113.237 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -63.03 145.95 94.4 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.289 2.659 . . . . 0.0 111.652 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -77.73 143.86 37.69 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 120.57 -1.331 . . . . 0.0 109.438 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -118.75 31.06 6.85 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -176.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.88 37.22 69.14 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 123.433 0.539 . . . . 0.0 113.025 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.51 7.03 0.7 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 128.78 2.832 . . . . 0.0 114.719 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.42 HG22 HD13 ' A' ' 18' ' ' LEU . 96.9 m -70.87 118.49 13.72 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.257 -1.527 . . . . 0.0 111.562 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.6 m -122.08 109.23 14.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.634 1.174 . . . . 0.0 110.266 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.42 HD13 HG22 ' A' ' 16' ' ' THR . 5.9 mp -118.29 145.94 44.69 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.263 1.825 . . . . 0.0 113.527 -175.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.65 -7.71 40.03 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.238 1.815 . . . . 0.0 112.958 176.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -145.25 156.73 44.01 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.38 -168.28 12.97 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.984 1.754 . . . . 0.0 114.791 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.2 m -152.23 119.82 6.06 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.029 2.131 . . . . 0.0 108.134 177.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -74.95 77.79 2.17 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 115.994 1.849 . . . . 0.0 115.994 -174.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.4 mt -51.45 -29.51 16.45 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -177.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.4 mt -70.77 -19.56 62.7 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -101.83 -33.79 9.67 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.448 1.099 . . . . 0.0 109.483 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -65.78 108.99 2.29 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.652 0.66 . . . . 0.0 110.009 175.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.9 p -87.73 1.2 54.45 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.94 0.896 . . . . 0.0 112.19 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.0 150.58 26.45 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.803 1.668 . . . . 0.0 109.467 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.3 t -53.01 167.5 0.16 Allowed 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.386 1.474 . . . . 0.0 114.346 -177.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.456 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -125.45 -11.55 6.82 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.326 1.051 . . . . 0.0 112.163 171.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.5 t -74.47 -35.61 39.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 119.614 1.097 . . . . 0.0 109.022 172.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.6 p -131.74 -15.72 3.04 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 116.418 2.007 . . . . 0.0 116.418 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.08 16.37 0.55 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 116.261 1.948 . . . . 0.0 116.261 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -84.71 147.25 27.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 119.739 -1.851 . . . . 0.0 113.198 179.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -121.83 160.65 24.23 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 125.538 1.535 . . . . 0.0 110.107 175.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.263 4.0 p30 52.14 26.75 4.07 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.357 1.863 . . . . 0.0 115.087 -175.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -121.74 99.31 6.39 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 128.726 2.81 . . . . 0.0 111.199 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.69 150.16 19.03 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 177.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.21 167.38 16.94 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 131.405 3.882 . . . . 0.0 109.712 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.1 mt -128.18 133.93 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.332 1.853 . . . . 0.0 107.083 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.453 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.16 173.58 12.39 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.664 0.785 . . . . 0.0 111.801 178.748 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.267 0.0 OUTLIER 55.98 13.18 1.07 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.432 2.293 . . . . 0.0 115.355 179.438 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -53.75 113.82 1.33 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 128.066 2.546 . . . . 0.0 114.351 -177.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.3 m -107.51 156.19 19.25 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 125.517 1.527 . . . . 0.0 112.68 176.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 tt -138.73 137.82 37.11 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.062 1.745 . . . . 0.0 109.167 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -131.81 146.68 52.27 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 126.095 1.758 . . . . 0.0 111.003 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -138.77 116.15 11.19 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.952 0.406 . . . . 0.0 110.473 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -118.87 121.51 40.15 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.351 1.46 . . . . 0.0 113.388 174.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 46.23 20.83 0.09 Allowed 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 171.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.73 -20.87 9.92 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 126.16 1.838 . . . . 0.0 113.24 -177.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -75.71 137.15 40.44 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.736 1.214 . . . . 0.0 109.024 174.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -117.97 129.77 55.8 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.663 1.585 . . . . 0.0 108.712 176.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -124.84 140.07 49.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 O-C-N 121.42 -0.8 . . . . 0.0 109.439 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.5 t -132.47 118.07 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 124.546 1.138 . . . . 0.0 108.648 177.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -122.08 133.9 54.77 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.843 0.857 . . . . 0.0 111.886 177.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -155.76 -170.33 3.38 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.6 158.25 44.07 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.979 1.312 . . . . 0.0 108.956 -178.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -112.12 140.49 46.77 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.297 1.439 . . . . 0.0 108.084 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 42' ' ' THR . 6.3 mp -132.16 134.44 45.4 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.812 1.245 . . . . 0.0 111.022 -176.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -59.49 122.92 15.23 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.546 1.138 . . . . 0.0 110.711 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -62.67 -13.33 30.89 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.052 -1.655 . . . . 0.0 111.808 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -94.83 -67.46 0.85 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.418 1.087 . . . . 0.0 111.706 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.3 p -93.28 -5.96 48.58 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 72.4 m80 53.38 21.52 2.41 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.361 1.865 . . . . 0.0 115.023 -177.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.42 146.78 51.76 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.965 1.306 . . . . 0.0 107.592 169.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.5 t -75.74 105.47 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 121.598 -0.689 . . . . 0.0 109.929 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.5 mt -62.16 -46.01 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.591 1.556 . . . . 0.0 111.176 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.2 168.53 20.57 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.595 1.158 . . . . 0.0 112.744 -175.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -116.43 140.48 49.3 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.041 1.736 . . . . 0.0 109.147 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -124.32 139.18 54.15 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.007 1.723 . . . . 0.0 112.674 -176.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -139.38 131.96 28.8 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.697 1.199 . . . . 0.0 108.631 174.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -131.23 126.68 36.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 173.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.25 135.78 49.24 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -128.78 127.07 41.26 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.917 0.887 . . . . 0.0 110.179 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.88 142.95 51.13 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.52 1.928 . . . . 0.0 113.658 -176.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.02 122.0 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 O-C-N 121.056 -1.028 . . . . 0.0 109.922 174.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.43 115.83 24.89 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.728 1.211 . . . . 0.0 113.833 177.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 51.21 -68.88 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 128.534 2.734 . . . . 0.0 117.471 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -136.36 5.95 3.0 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.993 2.117 . . . . 0.0 112.11 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.44 170.44 14.68 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 120.879 -1.138 . . . . 0.0 109.613 -175.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -122.96 143.49 49.87 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.8 1.24 . . . . 0.0 109.332 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -121.25 130.6 53.75 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 126.934 2.094 . . . . 0.0 109.504 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -122.23 130.11 52.87 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 125.012 1.325 . . . . 0.0 109.235 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.91 142.71 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 122.173 0.987 . . . . 0.0 109.467 177.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.9 ttp -139.02 145.08 39.21 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 125.788 1.635 . . . . 0.0 109.371 177.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 tp -151.62 105.41 3.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.22 1.808 . . . . 0.0 110.286 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.2 t -142.64 137.13 29.77 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 126.23 1.812 . . . . 0.0 110.099 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.7 tp -59.19 -34.13 71.78 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.244 1.018 . . . . 0.0 111.785 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.2 tp -96.49 -63.33 1.15 Allowed 'General case' 0 C--O 1.232 0.161 0 C-N-CA 124.988 1.315 . . . . 0.0 111.276 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 74.6 m -64.29 -37.42 87.42 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -173.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.15 175.16 13.97 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 117.611 1.804 . . . . 0.0 117.611 172.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -113.77 117.02 30.31 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.288 1.435 . . . . 0.0 110.321 175.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.61 157.26 44.55 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -150.46 137.81 19.57 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.383 1.073 . . . . 0.0 110.974 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -141.79 152.5 43.8 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.189 1.796 . . . . 0.0 111.741 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.97 133.92 38.06 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.852 -0.53 . . . . 0.0 110.762 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.9 mt -122.23 125.96 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.172 1.389 . . . . 0.0 110.731 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.2 p . . . . . 0 N--CA 1.47 0.536 0 O-C-N 121.529 -0.732 . . . . 0.0 109.53 174.042 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.831 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.21 -35.04 1.1 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 126.831 2.158 . . . . 0.0 111.403 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.57 -17.77 65.0 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 117.978 0.889 . . . . 0.0 109.955 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.449 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 66.8 m -61.51 -27.97 68.98 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.053 1.741 . . . . 0.0 112.62 174.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.3 m -110.9 140.22 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.499 1.12 . . . . 0.0 111.578 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.16 -42.23 93.95 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 120.847 -1.158 . . . . 0.0 110.426 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -131.88 142.0 49.55 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.998 1.719 . . . . 0.0 109.69 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.06 124.66 29.38 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.004 0.922 . . . . 0.0 109.273 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 46.64 60.02 15.23 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 124.776 1.23 . . . . 0.0 113.248 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -62.86 145.27 94.59 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.302 2.668 . . . . 0.0 111.512 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -77.29 144.65 37.97 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.577 -1.327 . . . . 0.0 109.408 175.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -116.16 28.87 8.32 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -176.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.48 12.15 12.26 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 126.227 1.87 . . . . 0.0 116.378 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 121.22 -3.53 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.139 1 C-N-CA 132.776 4.43 . . . . 0.0 115.528 178.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.432 HG22 HD13 ' A' ' 18' ' ' LEU . 75.4 m -65.18 117.72 8.18 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.922 -1.111 . . . . 0.0 112.788 -176.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.9 m -123.18 109.59 14.19 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.868 1.267 . . . . 0.0 110.226 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.432 HD13 HG22 ' A' ' 16' ' ' THR . 6.6 mp -121.38 149.55 42.81 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.931 1.692 . . . . 0.0 113.93 -175.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.53 1.93 38.55 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.425 2.29 . . . . 0.0 112.726 175.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -141.38 158.97 43.17 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.349 1.46 . . . . 0.0 113.202 -177.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.88 -176.0 35.84 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.273 1.416 . . . . 0.0 115.987 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.5 m -146.01 122.5 11.04 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.873 2.469 . . . . 0.0 108.425 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -74.94 76.51 2.17 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.2 mt -51.77 -29.48 19.02 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.0 mt -70.19 -20.22 63.13 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.398 1.079 . . . . 0.0 113.229 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -101.68 -32.27 10.4 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.98 0.912 . . . . 0.0 110.35 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -66.17 109.71 2.73 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.141 0.495 . . . . 0.0 109.801 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.1 p -89.2 4.29 49.12 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.314 1.045 . . . . 0.0 112.199 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.12 149.82 26.25 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.526 1.536 . . . . 0.0 109.813 -175.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.449 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.5 t -53.62 167.82 0.21 Allowed 'General case' 0 C--O 1.239 0.509 0 C-N-CA 125.532 1.533 . . . . 0.0 114.218 -177.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.46 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -125.59 -11.56 6.74 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.277 1.031 . . . . 0.0 112.168 172.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.8 t -74.19 -35.39 40.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 119.735 1.152 . . . . 0.0 109.071 171.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 p -131.98 -14.76 3.06 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 116.505 2.039 . . . . 0.0 116.505 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 80.09 17.74 0.68 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -87.97 144.12 26.72 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 119.667 -1.895 . . . . 0.0 113.39 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -118.31 160.78 21.05 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.715 1.606 . . . . 0.0 110.206 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.265 4.0 p30 52.28 26.56 4.1 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.531 1.932 . . . . 0.0 115.023 -176.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -121.75 98.71 6.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 128.565 2.746 . . . . 0.0 111.143 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.75 150.92 19.57 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.45 165.98 18.78 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 131.364 3.866 . . . . 0.0 109.092 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.3 mt -128.58 134.8 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 125.92 1.688 . . . . 0.0 106.876 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.438 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.41 172.41 13.97 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.285 0.634 . . . . 0.0 111.778 178.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER 58.58 14.43 3.06 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.462 2.305 . . . . 0.0 115.151 178.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -51.72 112.06 0.7 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.839 2.055 . . . . 0.0 113.217 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.0 m -107.46 156.04 19.39 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.429 1.492 . . . . 0.0 112.13 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.17 137.85 34.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.679 1.591 . . . . 0.0 110.035 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -131.84 146.65 52.25 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 126.473 1.909 . . . . 0.0 111.029 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -138.5 116.27 11.49 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.865 0.364 . . . . 0.0 110.745 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -118.93 121.4 39.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.349 1.46 . . . . 0.0 113.247 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.2 t70 45.6 20.89 0.07 Allowed 'General case' 0 CA--C 1.559 1.293 0 N-CA-C 118.37 2.73 . . . . 0.0 118.37 172.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.69 -21.06 9.88 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.196 1.855 . . . . 0.0 113.203 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -75.03 136.95 41.2 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.015 1.326 . . . . 0.0 108.951 174.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -118.06 129.78 55.77 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.725 1.61 . . . . 0.0 108.554 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.408 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -124.0 139.33 50.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 123.865 0.866 . . . . 0.0 109.44 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.49 118.18 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 124.844 1.258 . . . . 0.0 108.887 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.0 p -122.08 135.07 54.77 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.505 0.722 . . . . 0.0 112.049 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -153.55 -170.8 3.7 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.67 158.13 44.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.16 1.384 . . . . 0.0 108.68 -178.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -112.78 141.32 46.72 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.082 1.353 . . . . 0.0 108.176 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.438 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.5 134.51 45.1 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.758 1.223 . . . . 0.0 110.896 -175.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.4 t -59.75 122.61 14.61 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.499 1.12 . . . . 0.0 110.738 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -62.23 -13.26 26.15 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 120.055 -1.653 . . . . 0.0 111.685 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -95.53 -65.8 0.95 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.712 1.205 . . . . 0.0 112.082 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.1 p -95.64 -5.25 42.85 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.303 73.0 m80 53.35 20.53 1.99 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.43 1.892 . . . . 0.0 115.226 -177.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.35 146.63 53.08 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 170.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.1 t -75.81 104.87 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 121.556 -0.715 . . . . 0.0 109.858 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.8 mt -61.75 -46.28 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.617 1.567 . . . . 0.0 111.315 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.84 168.59 21.1 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.573 1.149 . . . . 0.0 112.642 -175.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -117.04 140.06 49.94 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.952 1.701 . . . . 0.0 109.194 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.06 139.14 54.39 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.139 1.776 . . . . 0.0 112.614 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -140.17 131.27 26.36 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.552 1.141 . . . . 0.0 108.945 174.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -130.3 126.64 37.7 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 173.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.408 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -129.04 135.86 49.5 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -128.49 127.37 42.31 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.239 1.016 . . . . 0.0 110.021 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.92 142.89 51.13 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.524 1.93 . . . . 0.0 113.588 -176.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.9 mt -109.91 121.99 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 O-C-N 121.047 -1.033 . . . . 0.0 109.843 174.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.0 ptp -119.41 115.72 24.66 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.62 1.168 . . . . 0.0 113.508 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 50.11 -73.17 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 128.206 2.602 . . . . 0.0 116.916 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -131.75 7.23 4.41 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.922 2.089 . . . . 0.0 112.27 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -132.39 170.43 15.11 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 120.771 -1.206 . . . . 0.0 109.766 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -123.0 143.46 49.91 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 125.045 1.338 . . . . 0.0 109.25 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -121.55 131.04 53.91 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 126.9 2.08 . . . . 0.0 109.654 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -122.38 129.96 52.63 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 124.981 1.312 . . . . 0.0 109.079 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.94 142.66 36.39 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.927 0.87 . . . . 0.0 109.065 177.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.0 ttp -137.72 145.92 43.09 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 125.782 1.633 . . . . 0.0 109.362 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.51 105.2 3.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.374 1.87 . . . . 0.0 110.223 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.5 t -142.17 136.58 30.12 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 126.162 1.785 . . . . 0.0 110.035 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 tp -58.86 -34.28 71.42 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.166 0.986 . . . . 0.0 111.781 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.2 tp -96.09 -63.93 1.1 Allowed 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.049 1.34 . . . . 0.0 111.22 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 70.3 m -64.49 -36.5 84.4 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.167 0.987 . . . . 0.0 113.6 -172.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.99 174.0 13.63 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 117.899 1.92 . . . . 0.0 117.899 172.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -113.04 116.23 29.59 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.351 1.46 . . . . 0.0 110.027 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.7 157.3 44.5 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -149.47 138.89 21.52 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.349 1.06 . . . . 0.0 111.156 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -141.74 152.46 43.83 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.037 1.735 . . . . 0.0 111.616 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.32 134.36 37.86 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.733 -0.605 . . . . 0.0 110.579 174.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.1 mt -122.12 126.07 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.174 1.39 . . . . 0.0 110.721 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 p -82.68 132.75 35.17 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.642 -0.661 . . . . 0.0 109.76 174.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.31 -177.45 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.705 1.202 . . . . 0.0 113.08 -176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.9 mt -134.97 162.99 54.45 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 127.196 2.198 . . . . 0.0 110.437 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -60.3 -17.45 46.89 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.131 2.554 . . . . 0.0 113.896 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -73.75 -2.9 25.33 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.547 1.539 . . . . 0.0 112.905 174.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.2 t0 51.45 53.92 14.08 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 127.34 2.256 . . . . 0.0 114.918 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.77 -24.35 11.72 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 123.577 2.851 . . . . 0.0 115.212 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 48.07 31.32 2.42 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 126.859 2.064 . . . . 0.0 115.102 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 . . . . . 0 N--CA 1.476 0.848 0 C-N-CA 126.571 1.948 . . . . 0.0 113.3 -177.891 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.83 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.14 -34.9 1.09 Allowed Glycine 0 CA--C 1.532 1.106 0 C-N-CA 126.843 2.163 . . . . 0.0 111.48 -176.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -66.86 -18.02 65.17 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.631 -0.923 . . . . 0.0 109.96 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.454 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 66.7 m -60.81 -28.91 69.14 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.873 1.669 . . . . 0.0 112.448 174.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.3 m -110.1 139.75 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.678 1.191 . . . . 0.0 111.895 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -64.77 -40.76 95.79 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.731 1.212 . . . . 0.0 110.641 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -133.81 141.72 47.56 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.013 2.125 . . . . 0.0 109.276 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -81.8 123.65 28.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.502 0.721 . . . . 0.0 109.116 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 47.17 59.97 15.73 Favored Pre-proline 0 N--CA 1.476 0.864 0 C-N-CA 124.7 1.2 . . . . 0.0 113.173 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -63.07 145.51 94.04 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.146 2.564 . . . . 0.0 111.495 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -77.73 143.7 37.82 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.568 -1.333 . . . . 0.0 109.444 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -115.99 30.86 7.08 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.95 12.33 10.77 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 126.17 1.843 . . . . 0.0 116.578 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 121.94 -3.73 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.092 1 C-N-CA 132.725 4.41 . . . . 0.0 115.614 178.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.419 HG22 HD13 ' A' ' 18' ' ' LEU . 86.5 m -64.75 116.98 6.83 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 120.904 -1.123 . . . . 0.0 112.731 -176.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.0 m -122.89 109.74 14.54 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.859 1.264 . . . . 0.0 110.212 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.419 HD13 HG22 ' A' ' 16' ' ' THR . 6.6 mp -121.26 149.33 43.03 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.989 1.716 . . . . 0.0 113.843 -175.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.17 0.89 38.45 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.313 2.245 . . . . 0.0 112.742 175.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -141.46 159.09 42.94 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.283 1.433 . . . . 0.0 113.205 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.92 -175.03 33.45 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.245 1.402 . . . . 0.0 115.956 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.8 m -146.53 122.28 10.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.844 2.457 . . . . 0.0 108.406 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -75.82 77.47 2.75 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.6 mt -51.5 -29.39 16.47 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 -177.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.1 mt -70.53 -19.99 62.86 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -101.34 -33.72 9.91 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.31 1.044 . . . . 0.0 109.498 174.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -65.63 109.42 2.39 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.653 -0.655 . . . . 0.0 110.097 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.9 p -90.57 6.64 42.85 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.208 1.003 . . . . 0.0 112.218 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.61 150.36 26.62 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.262 1.411 . . . . 0.0 109.798 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.6 t -53.36 168.7 0.14 Allowed 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.619 1.568 . . . . 0.0 114.255 -177.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.459 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.52 -11.63 6.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.227 171.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.3 t -74.14 -35.77 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 119.647 1.112 . . . . 0.0 109.026 171.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.3 p -131.35 -16.44 3.1 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.29 16.42 0.52 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -84.27 146.01 28.0 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 119.719 -1.863 . . . . 0.0 113.15 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -120.77 160.68 22.87 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.684 1.594 . . . . 0.0 110.117 175.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.26 26.66 4.13 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.387 1.875 . . . . 0.0 114.827 -176.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.2 98.91 6.15 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 128.829 2.851 . . . . 0.0 111.33 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.88 150.52 18.99 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 176.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.56 165.77 19.28 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 131.324 3.85 . . . . 0.0 109.322 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.0 mt -127.93 134.4 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.949 1.7 . . . . 0.0 106.879 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.444 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.46 172.77 13.42 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.38 0.672 . . . . 0.0 111.71 178.657 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.278 0.0 OUTLIER 57.92 15.76 3.28 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.305 2.242 . . . . 0.0 114.952 178.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -54.17 113.02 1.09 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.909 2.084 . . . . 0.0 113.643 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.0 m -107.5 156.11 19.33 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.367 1.467 . . . . 0.0 112.325 176.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -138.74 137.75 37.03 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.774 1.63 . . . . 0.0 109.707 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -132.03 146.63 52.19 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.53 1.932 . . . . 0.0 111.18 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -138.66 116.26 11.36 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -118.86 121.38 39.87 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.101 1.36 . . . . 0.0 113.066 175.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 45.05 20.35 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 118.507 2.78 . . . . 0.0 118.507 171.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.37 -21.34 9.31 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.388 1.947 . . . . 0.0 113.293 -176.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -74.53 136.94 42.15 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.19 1.396 . . . . 0.0 109.01 174.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -117.96 129.88 55.87 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.572 1.549 . . . . 0.0 108.771 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.412 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.65 139.71 49.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 123.911 0.884 . . . . 0.0 109.448 -178.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -132.44 118.13 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 124.885 1.274 . . . . 0.0 108.781 177.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.5 p -122.0 134.98 54.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.617 0.767 . . . . 0.0 112.09 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -154.34 -170.4 3.53 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.674 0.991 . . . . 0.0 113.674 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.61 158.22 44.11 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.053 1.341 . . . . 0.0 108.822 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -112.3 141.44 46.02 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.138 1.375 . . . . 0.0 108.165 176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.444 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.79 134.36 44.6 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.755 1.222 . . . . 0.0 111.06 -175.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.1 t -59.54 123.28 16.35 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.5 1.12 . . . . 0.0 110.699 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -62.84 -13.52 34.76 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.079 -1.638 . . . . 0.0 111.725 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -94.92 -67.76 0.84 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.433 1.093 . . . . 0.0 111.69 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.3 p -92.82 -6.04 49.74 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.301 73.3 m80 53.42 20.72 2.1 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.356 1.862 . . . . 0.0 115.166 -177.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.58 146.73 52.81 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.889 1.276 . . . . 0.0 107.604 169.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.4 t -75.7 105.07 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 121.585 -0.697 . . . . 0.0 109.902 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.3 mt -61.9 -45.91 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 125.513 1.525 . . . . 0.0 111.246 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.1 168.36 21.0 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.507 1.123 . . . . 0.0 112.691 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -116.49 140.26 49.56 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.961 1.704 . . . . 0.0 109.116 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.63 138.83 54.47 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.104 1.762 . . . . 0.0 112.651 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -139.81 131.2 26.85 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.528 1.131 . . . . 0.0 108.877 174.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -130.54 126.64 37.3 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 173.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.412 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -128.91 135.86 49.62 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -128.27 127.4 42.73 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.11 0.964 . . . . 0.0 109.811 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.31 142.93 50.99 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.478 1.911 . . . . 0.0 113.52 -176.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.9 mt -109.66 121.92 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 O-C-N 120.969 -1.082 . . . . 0.0 109.794 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.75 24.72 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.749 1.22 . . . . 0.0 114.218 177.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t0 51.6 -68.88 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.494 2.717 . . . . 0.0 117.333 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -135.44 6.0 3.24 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.881 2.072 . . . . 0.0 112.195 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.69 170.86 14.21 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.779 -1.201 . . . . 0.0 109.872 -175.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -122.29 143.48 49.59 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.961 1.304 . . . . 0.0 109.286 175.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -121.79 131.12 53.89 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 126.957 2.103 . . . . 0.0 109.575 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -122.45 130.08 52.7 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.98 1.312 . . . . 0.0 109.043 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.89 142.54 36.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.885 0.85 . . . . 0.0 109.13 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.4 ttp -137.57 145.74 43.22 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 125.863 1.665 . . . . 0.0 109.298 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.5 104.99 3.12 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.388 1.875 . . . . 0.0 110.14 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.3 t -142.33 136.84 30.09 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.178 1.791 . . . . 0.0 110.03 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.7 tp -58.99 -33.92 71.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.221 1.008 . . . . 0.0 111.797 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.0 tp -96.82 -63.29 1.15 Allowed 'General case' 0 C--O 1.233 0.204 0 C-N-CA 125.132 1.373 . . . . 0.0 111.288 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.33 -37.54 87.87 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.89 174.59 13.77 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 117.657 1.823 . . . . 0.0 117.657 172.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -113.24 115.96 29.02 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.272 1.429 . . . . 0.0 109.931 174.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.72 157.28 44.51 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -149.21 139.2 22.05 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.339 1.056 . . . . 0.0 111.062 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -141.7 152.49 43.92 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.076 1.75 . . . . 0.0 111.628 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.63 133.93 36.8 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.701 -0.624 . . . . 0.0 110.658 174.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.4 mt -122.25 126.33 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.225 1.41 . . . . 0.0 110.829 -177.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.4 p -82.89 134.36 35.09 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.362 -0.837 . . . . 0.0 109.9 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 pp -134.42 179.0 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.664 1.186 . . . . 0.0 113.47 -175.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 62.5 mt -139.5 161.64 55.78 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 127.267 2.227 . . . . 0.0 109.943 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -61.27 -18.01 56.25 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 123.079 2.519 . . . . 0.0 113.976 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -75.5 -1.86 26.18 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.427 1.491 . . . . 0.0 113.069 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 49.3 t0 51.92 56.55 15.94 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 127.103 2.161 . . . . 0.0 114.805 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -74.17 -23.99 15.16 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 122.97 2.447 . . . . 0.0 112.819 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 37.34 40.61 0.21 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 128.442 2.697 . . . . 0.0 115.867 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 127.17 2.188 . . . . 0.0 113.612 -178.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.81 -33.61 1.03 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 126.943 2.211 . . . . 0.0 111.881 -177.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.58 -18.14 65.2 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 118.069 0.934 . . . . 0.0 110.031 169.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.8 m -61.85 -27.42 68.77 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.837 1.655 . . . . 0.0 112.797 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 m -111.04 138.89 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.716 1.206 . . . . 0.0 111.805 -174.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -64.79 -37.95 89.34 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.998 -1.064 . . . . 0.0 111.268 177.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -137.25 143.96 42.51 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.618 1.967 . . . . 0.0 109.444 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -81.4 125.0 29.88 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.946 0.898 . . . . 0.0 109.379 175.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 45.99 59.65 14.99 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.896 1.279 . . . . 0.0 113.215 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -63.13 144.99 93.46 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.18 2.587 . . . . 0.0 111.549 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -76.96 143.76 39.25 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.471 -1.393 . . . . 0.0 109.462 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.27 31.09 6.78 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -175.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.79 39.6 77.61 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 123.428 0.537 . . . . 0.0 112.876 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 78.84 13.27 1.31 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 128.298 2.639 . . . . 0.0 114.624 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.407 HG22 HD13 ' A' ' 18' ' ' LEU . 97.7 m -76.46 117.98 18.67 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.325 -1.485 . . . . 0.0 111.152 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.1 m -122.26 110.05 15.22 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.7 1.2 . . . . 0.0 110.401 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.407 HD13 HG22 ' A' ' 16' ' ' THR . 5.9 mp -119.0 145.72 45.61 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.384 1.873 . . . . 0.0 113.941 -175.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.29 -3.73 40.03 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.994 2.118 . . . . 0.0 113.453 176.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -145.93 156.04 43.26 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.725 1.21 . . . . 0.0 112.381 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.46 -175.51 18.93 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.26 1.409 . . . . 0.0 115.232 176.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 m -149.08 119.23 7.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.821 2.448 . . . . 0.0 108.261 177.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.1 77.32 2.26 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -174.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 mt -51.2 -29.87 15.41 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.8 mt -70.77 -20.52 62.6 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 177.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -100.03 -33.62 10.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.964 0.905 . . . . 0.0 109.702 174.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -65.78 109.8 2.59 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.235 0.47 . . . . 0.0 110.013 175.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 p -91.12 7.53 40.1 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.317 1.047 . . . . 0.0 112.248 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.14 150.79 27.13 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 125.295 1.426 . . . . 0.0 109.63 -175.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.69 170.13 0.12 Allowed 'General case' 0 C--O 1.238 0.49 0 C-N-CA 125.692 1.597 . . . . 0.0 114.17 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.429 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.62 -11.65 5.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.41 171.48 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.1 t -73.34 -35.27 45.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 119.731 1.15 . . . . 0.0 108.979 171.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.5 p -131.7 -16.82 2.93 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t 81.75 15.19 0.52 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -83.51 145.28 29.0 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.003 -1.686 . . . . 0.0 113.195 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -119.51 161.04 21.25 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.685 1.594 . . . . 0.0 110.251 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.08 26.52 3.86 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.465 1.906 . . . . 0.0 114.914 -176.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.27 98.83 6.11 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 128.744 2.818 . . . . 0.0 111.228 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.62 150.16 19.14 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.69 165.75 18.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 131.162 3.785 . . . . 0.0 109.495 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.0 mt -127.44 133.58 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.07 1.748 . . . . 0.0 106.918 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.444 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -146.09 170.3 16.95 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.469 0.707 . . . . 0.0 111.304 178.542 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.273 0.0 OUTLIER 58.02 12.43 1.8 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.171 2.189 . . . . 0.0 115.141 179.261 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -51.89 109.6 0.38 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 127.176 2.191 . . . . 0.0 112.649 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.8 m -107.52 156.1 19.36 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.68 1.592 . . . . 0.0 112.397 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 tt -139.0 137.74 36.61 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.578 1.551 . . . . 0.0 110.072 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -131.44 146.62 52.34 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 126.586 1.954 . . . . 0.0 111.18 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.49 116.36 11.57 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.865 0.364 . . . . 0.0 110.774 175.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -118.98 121.41 39.86 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.473 1.509 . . . . 0.0 113.307 174.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.6 t70 45.48 20.99 0.06 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 118.406 2.743 . . . . 0.0 118.406 172.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.47 -21.04 10.07 Favored Glycine 0 N--CA 1.477 1.381 0 C-N-CA 126.338 1.923 . . . . 0.0 113.225 -177.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -75.17 136.64 41.03 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.955 1.302 . . . . 0.0 108.886 174.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -118.06 129.81 55.78 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 125.677 1.591 . . . . 0.0 108.66 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.91 139.95 48.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 123.897 0.879 . . . . 0.0 109.387 -177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.1 t -132.56 118.05 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 124.975 1.31 . . . . 0.0 108.667 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.7 p -121.9 135.18 54.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.485 0.714 . . . . 0.0 111.623 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -153.22 -172.08 4.13 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.76 158.17 44.13 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.901 1.281 . . . . 0.0 108.596 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -113.5 140.52 48.05 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.058 1.343 . . . . 0.0 108.023 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.444 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.39 134.13 44.78 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.678 1.191 . . . . 0.0 111.07 -175.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.3 t -59.57 123.24 16.22 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.436 1.094 . . . . 0.0 110.701 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -62.69 -13.46 32.49 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 120.074 -1.641 . . . . 0.0 111.697 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -94.89 -68.14 0.82 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.442 1.097 . . . . 0.0 111.668 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.44 -6.2 50.42 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.301 73.1 m80 53.56 20.39 2.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.339 1.856 . . . . 0.0 115.126 -177.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.47 146.63 52.99 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.978 1.311 . . . . 0.0 107.558 170.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.6 t -75.73 104.76 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 121.573 -0.704 . . . . 0.0 109.885 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.1 -45.68 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.526 1.531 . . . . 0.0 111.185 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.62 168.15 20.31 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.514 1.126 . . . . 0.0 112.583 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.58 140.28 49.56 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.925 1.69 . . . . 0.0 109.117 174.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.03 139.6 53.9 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.154 1.781 . . . . 0.0 112.721 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -140.2 132.45 28.2 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.548 1.139 . . . . 0.0 108.844 174.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -131.68 126.2 34.0 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 173.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.76 135.85 49.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -128.68 127.63 42.52 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.195 0.998 . . . . 0.0 110.095 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.65 142.88 50.89 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.482 1.913 . . . . 0.0 113.578 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -109.81 121.91 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 O-C-N 121.091 -1.006 . . . . 0.0 109.952 174.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.42 115.71 24.65 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.846 1.258 . . . . 0.0 114.214 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 t0 51.48 -69.16 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 128.499 2.72 . . . . 0.0 117.35 175.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -135.04 6.16 3.35 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.903 2.081 . . . . 0.0 112.169 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.28 171.18 14.03 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.914 -1.116 . . . . 0.0 109.929 -175.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -123.07 143.43 49.97 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.107 1.363 . . . . 0.0 109.219 176.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -121.23 130.0 53.47 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 126.86 2.064 . . . . 0.0 109.518 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -121.94 129.41 52.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 124.89 1.276 . . . . 0.0 109.326 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.93 141.49 36.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 122.094 0.95 . . . . 0.0 109.683 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.0 ttp -137.85 145.25 41.99 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 125.805 1.642 . . . . 0.0 109.388 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.74 105.24 3.11 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.221 1.808 . . . . 0.0 110.357 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.6 t -142.34 136.93 30.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.173 1.789 . . . . 0.0 110.132 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 tp -59.13 -34.36 71.96 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.288 1.035 . . . . 0.0 111.808 176.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.6 tp -96.32 -63.18 1.17 Allowed 'General case' 0 C--O 1.233 0.208 0 C-N-CA 125.055 1.342 . . . . 0.0 111.206 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.2 m -64.56 -37.66 88.34 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 123.887 0.875 . . . . 0.0 113.355 -173.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.32 174.9 13.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 117.652 1.821 . . . . 0.0 117.652 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.47 117.44 31.7 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.151 1.381 . . . . 0.0 110.139 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.61 157.26 44.55 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -150.37 137.76 19.64 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.349 1.059 . . . . 0.0 111.041 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -141.74 152.48 43.85 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.084 1.754 . . . . 0.0 111.77 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.92 132.86 37.02 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.963 -0.461 . . . . 0.0 110.536 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.8 mt -122.25 127.26 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.265 1.426 . . . . 0.0 110.942 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.7 p -82.17 135.45 35.27 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.31 -0.868 . . . . 0.0 110.017 173.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 pp -131.37 179.43 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.968 1.307 . . . . 0.0 112.681 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 78.3 mt -134.01 160.32 68.99 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 126.187 1.795 . . . . 0.0 111.131 -177.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -61.58 -20.2 67.81 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.244 2.629 . . . . 0.0 113.519 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -73.83 -4.78 36.91 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.386 1.474 . . . . 0.0 112.828 174.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.9 t0 47.44 64.75 8.01 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 127.886 2.474 . . . . 0.0 114.976 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -72.6 -12.55 26.95 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.833 3.022 . . . . 0.0 116.249 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? 54.17 17.78 1.57 Allowed 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 126.208 1.803 . . . . 0.0 115.024 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 . . . . . 0 N--CA 1.478 0.934 0 C-N-CA 126.596 1.959 . . . . 0.0 113.34 -175.785 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.62 -34.15 1.0 Allowed Glycine 0 CA--C 1.531 1.08 0 C-N-CA 127.006 2.241 . . . . 0.0 111.648 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -65.61 -18.86 65.64 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.741 -0.858 . . . . 0.0 109.87 169.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.61 -25.22 67.99 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.03 1.732 . . . . 0.0 113.039 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 m -112.28 138.88 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.213 1.005 . . . . 0.0 112.097 -174.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -64.59 -39.33 93.53 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.636 1.174 . . . . 0.0 111.039 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -135.84 143.25 45.02 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.592 1.957 . . . . 0.0 109.534 175.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.45 123.97 29.04 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.907 0.883 . . . . 0.0 109.308 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 47.22 59.96 15.76 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 124.88 1.272 . . . . 0.0 113.379 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -62.53 146.31 95.47 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.52 2.813 . . . . 0.0 111.598 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -78.68 144.93 34.9 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.358 -1.464 . . . . 0.0 109.47 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -117.25 29.46 7.88 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -176.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.81 13.65 13.68 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.952 1.739 . . . . 0.0 116.445 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 119.55 -2.89 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.14 1 C-N-CA 132.494 4.317 . . . . 0.0 115.745 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.4 m -64.49 117.65 7.65 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.961 -1.087 . . . . 0.0 112.844 -176.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 67.5 m -123.6 108.82 13.02 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.906 1.282 . . . . 0.0 110.214 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -120.37 146.47 46.13 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.052 1.741 . . . . 0.0 113.48 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -96.62 -0.18 48.98 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.757 1.223 . . . . 0.0 113.511 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -146.96 156.59 43.18 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.617 1.567 . . . . 0.0 111.803 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.36 -178.72 18.72 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.113 1.339 . . . . 0.0 114.678 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.7 m -150.16 119.33 6.77 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.435 2.294 . . . . 0.0 108.5 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -76.26 77.03 3.05 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 -174.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.9 mt -51.38 -29.63 16.27 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.3 mt -70.51 -20.06 62.86 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.667 1.187 . . . . 0.0 113.39 176.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -101.29 -34.18 9.74 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.111 0.964 . . . . 0.0 109.811 174.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -64.95 110.49 2.47 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.757 -0.589 . . . . 0.0 110.357 176.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.1 p -88.25 0.1 56.51 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.281 1.032 . . . . 0.0 112.245 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.59 150.06 24.85 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.95 1.738 . . . . 0.0 109.531 -175.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.6 t -53.15 167.07 0.19 Allowed 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.437 1.495 . . . . 0.0 114.095 -177.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -125.71 -10.88 6.73 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.253 1.021 . . . . 0.0 112.242 172.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -74.09 -35.46 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 119.701 1.137 . . . . 0.0 109.04 171.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.7 p -131.74 -14.81 3.14 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t 80.71 17.53 0.57 Allowed 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -87.24 143.88 27.07 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.044 -1.66 . . . . 0.0 113.365 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -117.29 161.09 20.06 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.614 1.566 . . . . 0.0 109.861 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.267 3.8 p30 52.51 25.58 3.69 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 126.31 1.844 . . . . 0.0 115.076 -176.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -121.54 99.4 6.45 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 128.763 2.825 . . . . 0.0 111.155 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.02 149.09 13.94 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 176.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.35 165.04 19.75 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 130.899 3.68 . . . . 0.0 109.055 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -125.89 134.24 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 175.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.456 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -149.27 175.52 11.33 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.477 0.711 . . . . 0.0 110.891 177.606 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t30 59.15 18.44 6.48 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.668 1.187 . . . . 0.0 113.363 174.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -58.28 113.67 2.06 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.712 2.005 . . . . 0.0 111.889 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.6 m -107.4 156.07 19.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.958 1.703 . . . . 0.0 111.626 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -140.12 137.82 34.78 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.296 1.439 . . . . 0.0 110.539 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -132.06 146.67 52.21 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 126.663 1.985 . . . . 0.0 111.285 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -139.15 116.3 11.05 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.897 0.38 . . . . 0.0 111.329 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -118.86 121.5 40.16 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.362 1.465 . . . . 0.0 113.248 174.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t70 44.82 21.19 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 118.54 2.793 . . . . 0.0 118.54 172.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.76 -20.41 10.05 Favored Glycine 0 N--CA 1.477 1.397 0 C-N-CA 126.231 1.872 . . . . 0.0 113.247 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -75.34 136.78 40.81 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.093 1.357 . . . . 0.0 108.93 174.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -117.91 130.0 55.97 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.607 1.563 . . . . 0.0 108.659 176.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.44 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.8 139.32 50.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 123.875 0.87 . . . . 0.0 109.529 -178.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.39 118.16 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.985 1.314 . . . . 0.0 109.292 177.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.5 p -121.95 134.92 54.84 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.514 0.726 . . . . 0.0 111.879 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -152.35 -168.79 3.16 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.011 -1.055 . . . . 0.0 113.391 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -141.73 158.24 44.05 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.531 1.132 . . . . 0.0 109.709 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -108.52 139.01 43.88 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.456 ' CD1' HG22 ' A' ' 42' ' ' THR . 5.6 mp -132.87 129.28 38.22 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.506 1.123 . . . . 0.0 110.299 -175.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.0 t -56.42 123.69 15.56 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.53 1.132 . . . . 0.0 111.159 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -63.04 -12.62 27.63 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.228 -1.545 . . . . 0.0 111.722 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -96.3 -67.0 0.87 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.312 1.045 . . . . 0.0 111.631 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.2 p -93.84 -5.74 47.38 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 63.7 m80 52.63 20.48 1.54 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.302 1.841 . . . . 0.0 115.018 -176.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 146.19 53.47 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 169.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.8 t -74.64 104.96 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 O-C-N 121.678 -0.639 . . . . 0.0 109.745 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.3 mt -61.03 -45.58 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.377 1.471 . . . . 0.0 110.684 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.75 164.54 23.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.802 1.241 . . . . 0.0 112.131 -176.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -110.44 143.6 40.49 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.28 1.432 . . . . 0.0 108.66 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -125.06 138.27 54.2 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.862 1.665 . . . . 0.0 111.848 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -137.76 132.07 32.18 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.742 1.217 . . . . 0.0 108.863 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -131.39 125.71 33.31 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.44 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -128.46 135.77 49.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.965 0.888 . . . . 0.0 108.675 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -128.57 126.2 39.83 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.017 0.927 . . . . 0.0 110.175 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.01 142.93 51.43 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.516 1.926 . . . . 0.0 113.656 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.2 122.36 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 O-C-N 121.022 -1.049 . . . . 0.0 110.194 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.72 24.66 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.937 1.295 . . . . 0.0 113.434 177.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 51.74 -71.41 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 128.354 2.661 . . . . 0.0 116.708 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -136.31 8.16 3.14 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.764 2.026 . . . . 0.0 111.963 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.03 170.46 13.96 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.95 -1.094 . . . . 0.0 109.159 -175.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.17 143.43 50.51 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 125.007 1.323 . . . . 0.0 109.287 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -121.43 129.28 52.9 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.393 1.877 . . . . 0.0 109.215 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -120.96 128.88 53.15 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 125.01 1.324 . . . . 0.0 109.133 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.88 142.45 36.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 122.02 0.914 . . . . 0.0 109.183 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 ttp -137.05 145.65 44.27 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 125.628 1.571 . . . . 0.0 109.298 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tp -150.84 105.36 3.26 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.352 1.861 . . . . 0.0 110.108 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.7 t -142.12 136.89 30.52 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.291 1.837 . . . . 0.0 109.724 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.4 tp -59.91 -34.45 73.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.218 1.007 . . . . 0.0 111.8 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.9 tp -95.38 -63.82 1.12 Allowed 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 124.911 1.284 . . . . 0.0 111.303 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.1 m -64.72 -37.2 86.79 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 124.161 0.985 . . . . 0.0 113.468 -173.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.12 175.19 13.98 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 118.094 1.998 . . . . 0.0 118.094 172.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -113.18 116.68 30.2 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 125.354 1.462 . . . . 0.0 109.797 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.65 157.27 44.53 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.226 1.011 . . . . 0.0 113.712 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -150.18 139.04 20.89 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.258 1.023 . . . . 0.0 111.532 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.77 152.39 43.72 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.289 1.836 . . . . 0.0 111.785 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.91 134.37 38.66 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.736 -0.603 . . . . 0.0 110.511 174.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.1 mt -122.26 127.74 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.062 1.345 . . . . 0.0 110.841 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.7 p -83.16 131.87 35.11 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.421 -0.799 . . . . 0.0 108.903 173.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.41 -175.04 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 122.517 1.151 . . . . 0.0 113.97 -173.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 70.7 mt -133.86 164.38 44.41 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 128.779 2.832 . . . . 0.0 108.678 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -59.47 -15.49 30.57 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 122.969 2.446 . . . . 0.0 114.595 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.72 -3.85 40.23 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.115 1.366 . . . . 0.0 112.822 174.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.0 t0 49.65 55.27 16.97 Favored Pre-proline 0 CA--C 1.557 1.246 0 C-N-CA 127.502 2.321 . . . . 0.0 114.695 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -74.58 -21.07 17.28 Favored 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 123.991 3.127 . . . . 0.0 115.463 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 45.4 38.53 3.73 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 126.978 2.111 . . . . 0.0 115.197 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 . . . . . 0 N--CA 1.475 0.793 0 C-N-CA 126.302 1.841 . . . . 0.0 113.278 -179.556 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.74 -34.24 1.02 Allowed Glycine 0 CA--C 1.531 1.045 0 C-N-CA 126.967 2.223 . . . . 0.0 111.831 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.53 -18.74 65.55 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 121.698 -0.883 . . . . 0.0 109.982 169.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.4 m -62.57 -25.59 68.15 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.268 1.827 . . . . 0.0 113.056 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.3 m -111.37 138.73 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.118 0.967 . . . . 0.0 111.865 -174.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -64.83 -40.38 95.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.905 1.282 . . . . 0.0 110.334 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 11' ' ' PRO . 28.5 mtmm -135.37 139.1 43.97 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.741 2.016 . . . . 0.0 108.911 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -81.09 125.26 29.99 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.634 0.774 . . . . 0.0 109.367 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 45.51 59.55 14.56 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 124.884 1.274 . . . . 0.0 113.051 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 67.1 Cg_endo -63.12 143.49 90.39 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.241 2.627 . . . . 0.0 111.785 -178.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -76.61 143.23 40.33 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 120.502 -1.374 . . . . 0.0 109.401 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.04 31.21 6.75 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -175.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.99 37.05 69.21 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 123.46 0.552 . . . . 0.0 113.073 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 84.08 6.83 0.62 Allowed 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 128.816 2.847 . . . . 0.0 114.659 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.406 HG22 HD13 ' A' ' 18' ' ' LEU . 95.7 m -70.36 117.25 11.66 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 120.257 -1.527 . . . . 0.0 111.524 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.9 m -121.69 109.8 15.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.543 1.137 . . . . 0.0 110.266 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.406 HD13 HG22 ' A' ' 16' ' ' THR . 6.0 mp -119.25 145.4 46.1 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.186 1.794 . . . . 0.0 113.598 -175.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.97 -4.56 46.47 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.619 1.967 . . . . 0.0 113.228 176.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -147.35 154.98 41.56 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.261 1.024 . . . . 0.0 112.871 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.83 -176.04 16.85 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.655 1.597 . . . . 0.0 114.563 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.3 m -148.77 118.54 7.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.623 2.369 . . . . 0.0 108.046 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -74.85 77.59 2.12 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -173.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.7 mt -52.46 -29.4 24.49 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.1 mt -71.04 -13.46 61.99 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -110.9 -29.02 8.11 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.167 1.387 . . . . 0.0 110.397 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -67.88 111.2 4.21 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.141 0.882 . . . . 0.0 109.934 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.5 p -87.2 -3.77 59.07 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.824 0.85 . . . . 0.0 112.531 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.86 148.58 20.5 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.943 1.735 . . . . 0.0 109.119 -174.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.4 t -52.72 167.77 0.14 Allowed 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.662 1.585 . . . . 0.0 114.091 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.45 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -125.73 -11.6 6.66 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.311 172.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.7 t -74.0 -35.34 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 119.713 1.142 . . . . 0.0 109.158 171.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.0 p -131.68 -15.65 3.07 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 80.32 17.04 0.67 Allowed 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -84.42 147.27 27.21 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 119.772 -1.83 . . . . 0.0 112.91 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -122.97 160.89 25.29 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.041 1.737 . . . . 0.0 109.881 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.259 4.2 p30 50.93 27.48 3.21 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 126.356 1.862 . . . . 0.0 115.072 -175.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -123.19 100.72 7.0 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 128.708 2.803 . . . . 0.0 111.564 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.34 150.21 17.92 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 176.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.37 167.52 16.08 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 131.218 3.807 . . . . 0.0 108.938 178.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 88.1 mt -129.88 136.44 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.929 1.691 . . . . 0.0 106.97 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.437 HG22 HD11 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -148.91 173.76 12.97 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.313 0.645 . . . . 0.0 111.611 178.717 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.281 0.0 OUTLIER 57.59 14.61 2.41 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.414 2.286 . . . . 0.0 115.441 178.93 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -50.68 111.46 0.55 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.847 2.059 . . . . 0.0 112.901 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.3 m -107.44 155.96 19.47 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.822 1.649 . . . . 0.0 111.834 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -141.38 137.77 32.54 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.555 1.542 . . . . 0.0 110.135 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -131.48 146.63 52.33 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.53 1.932 . . . . 0.0 111.113 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -138.73 116.31 11.34 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -118.95 121.41 39.87 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.422 1.489 . . . . 0.0 113.382 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t70 45.69 20.91 0.07 Allowed 'General case' 0 CA--C 1.559 1.298 0 N-CA-C 118.427 2.751 . . . . 0.0 118.427 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.54 -20.81 10.1 Favored Glycine 0 N--CA 1.477 1.411 0 C-N-CA 126.316 1.912 . . . . 0.0 113.163 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -75.56 136.74 40.53 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.934 1.293 . . . . 0.0 108.822 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -118.08 129.9 55.82 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.912 1.685 . . . . 0.0 108.516 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.67 138.94 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 123.805 0.842 . . . . 0.0 109.188 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.6 t -132.38 118.14 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 124.776 1.23 . . . . 0.0 108.993 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.5 p -122.03 134.88 54.8 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.594 0.758 . . . . 0.0 111.844 177.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -153.53 -171.66 3.98 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.079 -1.013 . . . . 0.0 113.192 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.66 158.19 44.13 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.703 1.201 . . . . 0.0 108.997 -178.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -112.29 141.05 46.47 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.184 1.394 . . . . 0.0 108.092 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.437 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.56 134.62 45.19 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.615 1.166 . . . . 0.0 111.174 -175.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.8 t -59.75 123.91 18.47 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.385 1.074 . . . . 0.0 110.641 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -63.12 -13.47 36.92 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.15 -1.594 . . . . 0.0 111.71 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -94.84 -68.72 0.79 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.463 1.105 . . . . 0.0 111.613 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.8 p -91.53 -6.55 52.3 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.298 73.1 m80 53.41 21.13 2.25 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.326 1.85 . . . . 0.0 114.974 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.95 147.06 52.19 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.111 1.364 . . . . 0.0 107.576 169.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.9 t -75.65 105.13 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.622 -0.674 . . . . 0.0 110.032 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.2 mt -61.29 -45.63 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 125.622 1.569 . . . . 0.0 111.124 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.66 167.8 20.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.566 1.146 . . . . 0.0 112.439 -175.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -115.5 140.72 48.9 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.861 1.664 . . . . 0.0 109.179 174.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.05 139.33 54.19 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.13 1.772 . . . . 0.0 112.37 -177.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -139.59 132.94 30.04 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.592 1.157 . . . . 0.0 108.677 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -132.0 125.96 32.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.58 135.81 49.87 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -129.87 127.47 40.27 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.091 0.956 . . . . 0.0 110.469 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -126.22 142.79 51.39 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.918 2.087 . . . . 0.0 113.733 -177.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.5 mt -114.48 121.47 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 171.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . 0.379 0.0 OUTLIER -119.87 121.28 38.71 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 174.475 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 53.87 -70.05 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 128.734 2.814 . . . . 0.0 116.804 176.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -137.39 5.51 2.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.128 1.771 . . . . 0.0 112.577 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -132.18 173.5 11.18 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.791 1.178 . . . . 0.0 109.543 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -125.12 143.43 50.93 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.681 1.592 . . . . 0.0 108.799 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -122.83 130.86 53.4 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 127.611 2.364 . . . . 0.0 109.932 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -121.74 130.66 53.59 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 125.127 1.371 . . . . 0.0 109.068 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.88 143.11 36.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 122.212 1.006 . . . . 0.0 109.494 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.8 ttp -138.11 145.32 41.5 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 125.696 1.598 . . . . 0.0 109.2 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 tp -151.9 105.36 3.1 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.152 1.781 . . . . 0.0 110.186 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.7 t -142.41 136.68 29.78 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 126.334 1.854 . . . . 0.0 109.941 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.75 -34.35 72.85 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.142 0.977 . . . . 0.0 111.954 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.5 tp -94.76 -62.42 1.32 Allowed 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.879 1.272 . . . . 0.0 111.341 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 79.9 m -66.01 -39.24 90.08 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.237 1.015 . . . . 0.0 113.543 -172.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.69 174.45 13.68 Favored Glycine 0 C--N 1.336 0.582 0 N-CA-C 118.063 1.985 . . . . 0.0 118.063 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.87 117.96 32.87 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.178 1.391 . . . . 0.0 110.232 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.75 157.24 44.53 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -150.12 137.79 19.95 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.359 1.064 . . . . 0.0 111.035 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -141.78 152.42 43.74 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.281 1.832 . . . . 0.0 111.939 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -135.41 134.87 40.13 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.894 -0.504 . . . . 0.0 111.112 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.3 mt -122.28 127.56 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.503 1.521 . . . . 0.0 110.814 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.3 p -83.73 134.11 34.76 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.5 -0.75 . . . . 0.0 109.725 174.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -133.84 -175.4 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 124.455 1.102 . . . . 0.0 113.208 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 69.7 mt -135.47 165.36 36.86 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 128.288 2.635 . . . . 0.0 109.145 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -59.25 -17.09 37.54 Favored 'Trans proline' 0 CA--C 1.546 1.082 0 C-N-CA 122.982 2.455 . . . . 0.0 114.29 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -76.97 -3.83 40.91 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 125.388 1.475 . . . . 0.0 112.944 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.8 t0 50.37 55.39 16.69 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 127.594 2.357 . . . . 0.0 114.897 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.08 -21.59 15.54 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 123.9 3.066 . . . . 0.0 115.7 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 45.54 39.57 4.93 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 126.824 2.05 . . . . 0.0 115.054 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 . . . . . 0 N--CA 1.475 0.819 0 C-N-CA 126.299 1.84 . . . . 0.0 113.168 -179.014 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.83 -33.77 1.03 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 126.853 2.168 . . . . 0.0 111.871 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.3 -18.44 65.35 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 118.058 0.929 . . . . 0.0 110.064 169.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.53 -27.5 68.65 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.852 1.661 . . . . 0.0 112.91 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 m -111.12 138.92 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.701 1.2 . . . . 0.0 111.754 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.8 -38.01 89.55 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.854 -1.154 . . . . 0.0 111.195 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -137.19 143.84 42.56 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.56 1.944 . . . . 0.0 109.396 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.44 124.77 29.72 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.954 0.902 . . . . 0.0 109.365 175.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 46.14 59.89 14.86 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 124.915 1.286 . . . . 0.0 113.213 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -63.17 145.37 93.48 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.167 2.578 . . . . 0.0 111.639 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -77.73 143.73 37.81 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.587 -1.32 . . . . 0.0 109.604 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.02 31.06 6.83 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -175.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.0 36.82 68.5 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 123.438 0.542 . . . . 0.0 113.081 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.95 6.83 0.64 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.87 2.868 . . . . 0.0 114.737 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.413 HG22 HD13 ' A' ' 18' ' ' LEU . 97.2 m -70.64 117.71 12.5 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.32 -1.487 . . . . 0.0 111.617 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.5 m -121.23 109.35 14.85 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.634 1.174 . . . . 0.0 110.303 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.413 HD13 HG22 ' A' ' 16' ' ' THR . 5.8 mp -118.1 145.08 45.12 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.259 1.824 . . . . 0.0 113.478 -175.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.2 -7.8 41.14 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.16 1.784 . . . . 0.0 113.026 176.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -145.26 156.31 43.75 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.11 -168.14 12.75 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 126.057 1.789 . . . . 0.0 114.853 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.1 m -152.24 119.31 5.85 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.075 2.15 . . . . 0.0 108.105 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -74.66 77.3 2.03 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 115.883 1.808 . . . . 0.0 115.883 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.5 mt -51.5 -29.53 16.93 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.51 -19.66 62.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.827 0.851 . . . . 0.0 113.216 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -101.9 -33.91 9.59 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.213 1.005 . . . . 0.0 109.842 174.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -65.84 109.47 2.49 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.787 -0.571 . . . . 0.0 110.075 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.2 p -90.62 7.31 39.92 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.148 0.979 . . . . 0.0 112.198 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.0 151.46 27.99 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.51 1.529 . . . . 0.0 109.588 -175.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.78 170.42 0.12 Allowed 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.8 1.64 . . . . 0.0 114.264 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.435 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.85 -11.62 5.42 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.339 171.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.5 t -73.63 -35.46 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 119.793 1.179 . . . . 0.0 109.044 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.3 p -131.44 -17.37 2.96 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 116.184 1.92 . . . . 0.0 116.184 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.32 15.98 0.54 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.532 1.933 . . . . 0.0 116.158 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -82.44 148.23 28.3 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 119.723 -1.861 . . . . 0.0 113.035 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -123.21 160.94 25.51 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.691 1.597 . . . . 0.0 110.096 175.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.04 26.6 3.87 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.34 1.856 . . . . 0.0 114.911 -175.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.32 99.34 6.37 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 128.895 2.878 . . . . 0.0 111.377 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.1 150.1 18.26 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.79 167.26 16.77 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 131.263 3.825 . . . . 0.0 109.691 178.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.0 mt -127.71 134.07 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 126.219 1.808 . . . . 0.0 107.092 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.45 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.13 173.13 12.79 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.76 0.824 . . . . 0.0 111.663 178.597 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.266 0.0 OUTLIER 56.28 13.04 1.13 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 127.457 2.303 . . . . 0.0 115.248 179.267 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -53.63 113.08 1.05 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 127.86 2.464 . . . . 0.0 114.199 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.1 m -107.53 156.18 19.28 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.508 1.523 . . . . 0.0 112.767 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tt -138.49 137.73 37.4 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.105 1.762 . . . . 0.0 109.108 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -132.01 146.61 52.18 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 126.332 1.853 . . . . 0.0 110.659 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -137.58 116.27 12.17 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 175.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -118.92 121.4 39.88 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.047 1.339 . . . . 0.0 113.68 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.6 t70 46.75 20.43 0.11 Allowed 'General case' 0 CA--C 1.558 1.287 0 N-CA-C 118.581 2.808 . . . . 0.0 118.581 170.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.12 -20.7 9.68 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 126.721 2.105 . . . . 0.0 113.36 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -77.92 138.56 38.95 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.514 1.526 . . . . 0.0 109.535 175.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -117.94 129.83 55.85 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.032 1.733 . . . . 0.0 108.587 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.66 139.51 50.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 124.078 0.951 . . . . 0.0 109.376 -177.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.7 t -132.42 117.98 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.695 1.198 . . . . 0.0 108.571 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.2 p -122.02 134.19 54.8 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.835 0.854 . . . . 0.0 111.876 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -155.73 -170.71 3.51 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.255 -0.903 . . . . 0.0 113.211 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.68 158.18 44.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.882 1.273 . . . . 0.0 108.933 -178.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -112.06 140.33 46.83 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.232 1.413 . . . . 0.0 108.003 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.45 ' CD1' HG22 ' A' ' 42' ' ' THR . 6.3 mp -132.18 133.92 44.78 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.697 1.199 . . . . 0.0 111.003 -175.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.03 123.19 15.76 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.497 1.119 . . . . 0.0 110.621 177.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -62.82 -13.48 34.09 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 120.052 -1.655 . . . . 0.0 111.711 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -94.71 -67.92 0.83 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.419 1.087 . . . . 0.0 111.657 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.6 p -92.24 -6.44 50.47 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 72.7 m80 53.27 21.57 2.34 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 126.324 1.85 . . . . 0.0 115.062 -177.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.75 146.81 51.2 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.17 1.388 . . . . 0.0 107.488 169.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.8 t -75.44 105.59 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 O-C-N 121.575 -0.703 . . . . 0.0 109.981 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.9 mt -62.04 -45.58 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 125.45 1.5 . . . . 0.0 111.059 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.53 167.64 21.14 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.5 1.12 . . . . 0.0 112.626 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -115.4 140.76 48.85 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.946 1.698 . . . . 0.0 109.022 174.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -124.29 138.96 54.33 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.909 1.684 . . . . 0.0 112.477 -177.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -139.37 132.22 29.24 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.666 1.187 . . . . 0.0 108.713 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -131.64 126.21 34.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 173.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.62 135.79 49.8 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -129.09 125.13 36.53 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.038 0.935 . . . . 0.0 110.091 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -126.11 142.9 51.33 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.818 2.047 . . . . 0.0 113.763 -175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.71 122.15 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 121.135 -0.978 . . . . 0.0 110.385 174.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.75 24.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.037 1.335 . . . . 0.0 113.726 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.3 t0 52.27 -70.92 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 128.34 2.656 . . . . 0.0 116.725 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -136.74 8.79 3.06 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.822 2.049 . . . . 0.0 112.037 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.92 170.96 13.75 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.863 -1.148 . . . . 0.0 108.956 -175.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -125.39 143.49 50.95 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.155 1.382 . . . . 0.0 109.236 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -121.27 129.58 53.22 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 126.776 2.03 . . . . 0.0 109.113 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -120.64 129.72 53.83 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.951 1.301 . . . . 0.0 108.895 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.94 142.07 36.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 122.216 1.008 . . . . 0.0 109.361 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.8 ttp -138.54 145.04 40.21 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 125.659 1.584 . . . . 0.0 109.305 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.4 tp -151.43 105.67 3.2 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.123 1.769 . . . . 0.0 110.196 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.7 t -142.66 136.97 29.61 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 126.163 1.785 . . . . 0.0 110.217 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.0 tp -59.15 -34.17 71.76 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.198 0.999 . . . . 0.0 111.855 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.7 tp -96.52 -63.13 1.17 Allowed 'General case' 0 C--O 1.232 0.166 0 C-N-CA 125.061 1.344 . . . . 0.0 111.231 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.1 m -64.69 -37.59 88.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -173.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.55 174.81 13.84 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 117.761 1.865 . . . . 0.0 117.761 172.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -112.86 117.6 32.58 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.522 1.529 . . . . 0.0 109.821 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.76 157.2 44.55 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.344 1.058 . . . . 0.0 113.828 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -150.98 137.77 18.94 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.309 1.044 . . . . 0.0 111.158 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -141.82 152.47 43.72 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.41 1.884 . . . . 0.0 111.856 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.03 133.65 39.6 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.778 -0.576 . . . . 0.0 110.735 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.7 mt -122.26 129.72 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.422 1.489 . . . . 0.0 111.313 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.1 p -84.23 133.38 34.58 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.16 -0.963 . . . . 0.0 109.362 173.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 pp -135.63 -173.4 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.678 1.191 . . . . 0.0 114.1 -173.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 77.7 mt -128.7 161.69 55.91 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 128.563 2.745 . . . . 0.0 108.873 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -58.4 -14.59 21.01 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.399 2.733 . . . . 0.0 115.257 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -75.31 -7.1 53.04 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.023 1.329 . . . . 0.0 113.137 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 47.7 t0 48.41 63.12 10.88 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 127.336 2.254 . . . . 0.0 114.256 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -73.9 -13.23 24.09 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 123.819 3.013 . . . . 0.0 115.813 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 53.19 20.63 1.9 Allowed 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 126.317 1.847 . . . . 0.0 114.697 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 . . . . . 0 N--CA 1.476 0.849 0 C-N-CA 127.362 2.265 . . . . 0.0 113.736 -176.923 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.64 -33.73 1.0 Allowed Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.986 2.232 . . . . 0.0 111.726 -177.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -65.7 -19.19 65.81 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 118.047 0.924 . . . . 0.0 109.964 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.5 m -61.96 -25.87 67.86 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.132 1.773 . . . . 0.0 113.157 175.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.0 m -112.15 138.48 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.506 1.123 . . . . 0.0 111.526 -174.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -63.94 -38.77 92.32 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.872 -1.142 . . . . 0.0 110.779 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -137.26 142.89 41.99 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.577 1.551 . . . . 0.0 109.43 176.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -80.92 124.31 29.02 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.087 0.955 . . . . 0.0 109.314 176.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 46.86 59.98 15.52 Favored Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 124.698 1.199 . . . . 0.0 113.117 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -63.09 146.75 94.61 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.37 2.713 . . . . 0.0 111.429 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -77.92 145.46 36.12 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.523 -1.361 . . . . 0.0 109.393 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -119.16 28.63 8.12 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.32 36.95 71.24 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.345 0.498 . . . . 0.0 112.872 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 82.96 6.34 0.83 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 128.915 2.886 . . . . 0.0 114.731 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.429 HG22 HD13 ' A' ' 18' ' ' LEU . 92.4 m -70.71 118.66 13.78 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.251 -1.531 . . . . 0.0 111.536 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.3 m -122.8 109.84 14.71 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.68 1.192 . . . . 0.0 110.31 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD13 HG22 ' A' ' 16' ' ' THR . 6.4 mp -120.84 148.79 43.54 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.09 1.756 . . . . 0.0 113.966 -175.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.11 0.85 38.54 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.321 2.248 . . . . 0.0 112.837 176.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -141.26 159.5 42.08 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.227 1.411 . . . . 0.0 113.249 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.7 -175.32 35.5 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.265 1.412 . . . . 0.0 115.929 175.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 m -146.13 123.14 11.4 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 127.798 2.439 . . . . 0.0 108.533 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -75.29 76.72 2.4 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -174.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.3 mt -51.78 -29.54 19.37 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.38 -18.89 63.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.315 1.046 . . . . 0.0 113.182 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -102.7 -33.1 9.54 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.172 0.989 . . . . 0.0 110.376 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -66.13 109.97 2.8 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 175.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.7 p -88.65 2.06 53.9 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.225 1.01 . . . . 0.0 112.11 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.31 150.61 26.86 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.94 1.733 . . . . 0.0 109.448 -175.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.1 t -53.1 168.87 0.12 Allowed 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.562 1.545 . . . . 0.0 114.301 -177.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.433 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.54 -11.43 6.2 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.24 171.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.9 t -74.02 -35.41 41.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 119.681 1.128 . . . . 0.0 109.056 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.0 p -131.59 -16.7 2.98 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 82.2 14.6 0.48 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -83.34 145.37 29.09 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.025 -1.672 . . . . 0.0 113.34 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -119.33 160.76 21.64 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.684 1.594 . . . . 0.0 110.016 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.06 26.7 3.96 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 126.337 1.855 . . . . 0.0 115.045 -176.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.29 98.84 6.11 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 128.704 2.802 . . . . 0.0 111.386 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.93 150.55 18.94 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.46 165.37 19.96 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 131.265 3.826 . . . . 0.0 109.266 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.1 mt -127.57 134.18 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 125.873 1.669 . . . . 0.0 106.866 176.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.445 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.27 172.77 13.33 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.483 0.713 . . . . 0.0 111.78 178.784 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.278 0.0 OUTLIER 57.78 15.82 3.2 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.262 2.225 . . . . 0.0 114.897 178.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -54.33 112.86 1.07 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.987 2.115 . . . . 0.0 113.476 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.2 m -107.47 156.12 19.31 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.296 1.438 . . . . 0.0 112.297 176.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -138.72 137.76 37.08 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.68 1.592 . . . . 0.0 109.697 177.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -131.88 146.69 52.27 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 126.379 1.872 . . . . 0.0 111.125 -178.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -138.9 116.36 11.26 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.898 0.38 . . . . 0.0 111.09 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -118.91 121.42 39.93 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.286 1.434 . . . . 0.0 113.198 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 45.1 20.73 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 118.415 2.746 . . . . 0.0 118.415 172.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.07 -20.96 9.63 Favored Glycine 0 N--CA 1.477 1.424 0 C-N-CA 126.273 1.892 . . . . 0.0 113.304 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -74.73 136.99 41.76 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.104 1.361 . . . . 0.0 108.92 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -117.94 129.85 55.86 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.584 1.554 . . . . 0.0 108.705 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.407 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.72 139.58 49.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 123.836 0.855 . . . . 0.0 109.47 -178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.2 t -132.35 118.13 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.757 1.223 . . . . 0.0 108.797 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.5 p -121.91 134.75 54.86 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.523 0.729 . . . . 0.0 112.015 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -154.45 -170.95 3.69 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -141.64 158.31 43.99 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.897 1.279 . . . . 0.0 109.248 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -111.7 141.15 45.67 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.222 1.409 . . . . 0.0 108.206 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.445 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.68 134.37 44.73 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.763 1.225 . . . . 0.0 110.883 -176.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.3 t -59.42 123.48 16.94 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.486 1.114 . . . . 0.0 110.745 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -63.05 -12.84 29.37 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 120.107 -1.621 . . . . 0.0 111.737 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -95.86 -67.7 0.84 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.549 1.139 . . . . 0.0 111.655 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.2 p -92.84 -5.98 49.81 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.294 70.8 m80 53.49 20.29 2.0 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.374 1.87 . . . . 0.0 115.156 -177.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.4 147.06 52.61 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.844 1.257 . . . . 0.0 107.719 169.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.7 t -76.46 102.25 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 O-C-N 121.558 -0.714 . . . . 0.0 110.325 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.9 mt -58.66 -47.49 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.555 1.542 . . . . 0.0 111.478 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -161.7 168.31 23.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.409 1.084 . . . . 0.0 112.511 -175.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.6 141.26 48.42 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.147 1.779 . . . . 0.0 108.747 176.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -125.77 138.64 53.86 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.678 1.591 . . . . 0.0 112.781 -176.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -140.19 131.43 26.6 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 124.452 1.101 . . . . 0.0 108.977 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -130.51 126.7 37.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 173.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.407 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -129.01 135.77 49.41 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -128.63 127.2 41.76 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.217 1.007 . . . . 0.0 110.116 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.98 142.9 51.11 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.511 1.925 . . . . 0.0 113.562 -176.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.9 mt -109.73 121.97 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 O-C-N 121.048 -1.032 . . . . 0.0 109.862 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.46 115.8 24.8 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.721 1.209 . . . . 0.0 113.75 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 51.05 -69.0 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 128.534 2.733 . . . . 0.0 117.365 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -136.23 6.1 3.05 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.975 2.11 . . . . 0.0 112.059 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.59 170.47 14.69 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.991 -1.068 . . . . 0.0 109.569 -175.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -122.71 143.53 49.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.804 1.242 . . . . 0.0 109.322 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -121.61 130.78 53.73 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 126.844 2.058 . . . . 0.0 109.555 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -122.08 129.97 52.85 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 124.955 1.302 . . . . 0.0 109.168 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.51 142.39 37.28 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.925 0.869 . . . . 0.0 109.099 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.1 ttp -138.0 145.69 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.57 1.548 . . . . 0.0 109.302 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.52 105.21 3.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.291 1.836 . . . . 0.0 110.255 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 37.6 t -142.11 136.87 30.52 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.153 1.781 . . . . 0.0 110.204 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.1 tp -59.26 -34.11 71.85 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.164 0.985 . . . . 0.0 111.947 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.8 tp -96.64 -63.16 1.17 Allowed 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.928 1.291 . . . . 0.0 111.117 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.1 m -64.6 -37.4 87.43 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.006 0.922 . . . . 0.0 113.32 -173.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.29 174.61 13.8 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 117.866 1.906 . . . . 0.0 117.866 172.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -113.42 117.13 30.87 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.331 1.452 . . . . 0.0 110.255 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.75 157.28 44.5 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -149.81 138.3 20.7 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.349 1.06 . . . . 0.0 110.924 175.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -141.89 152.35 43.5 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 126.205 1.802 . . . . 0.0 111.802 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.04 134.14 38.16 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.72 -0.613 . . . . 0.0 110.756 174.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.4 mt -122.21 125.85 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.121 1.369 . . . . 0.0 110.727 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.5 p -82.05 134.13 35.33 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.401 -0.812 . . . . 0.0 109.461 174.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.95 -178.4 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.567 1.147 . . . . 0.0 113.227 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 73.4 mt -135.91 163.07 53.04 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 127.315 2.246 . . . . 0.0 110.019 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -60.59 -17.16 47.17 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 123.011 2.474 . . . . 0.0 113.899 178.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -74.5 -3.5 31.17 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.451 1.5 . . . . 0.0 112.837 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.5 t0 52.39 54.21 13.44 Favored Pre-proline 0 CA--C 1.557 1.238 0 C-N-CA 127.336 2.254 . . . . 0.0 114.804 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -75.91 -23.85 11.96 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 123.728 2.952 . . . . 0.0 115.24 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 47.53 34.0 3.23 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 126.736 2.014 . . . . 0.0 114.946 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 . . . . . 0 N--CA 1.475 0.817 0 C-N-CA 126.41 1.884 . . . . 0.0 113.174 -177.895 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.8 -33.88 1.03 Allowed Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.941 2.21 . . . . 0.0 111.776 -177.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.38 -18.28 65.27 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.03 0.915 . . . . 0.0 109.966 170.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.4 m -61.8 -27.29 68.65 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.851 1.661 . . . . 0.0 112.865 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.5 m -110.59 139.29 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.52 1.128 . . . . 0.0 111.801 -174.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -64.18 -41.34 97.16 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.948 1.299 . . . . 0.0 110.67 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -134.5 141.99 46.91 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 127.013 2.125 . . . . 0.0 109.35 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.45 124.62 29.59 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.831 0.853 . . . . 0.0 109.318 175.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 46.36 59.81 15.19 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 124.892 1.277 . . . . 0.0 113.182 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -63.25 145.56 93.26 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.254 2.636 . . . . 0.0 111.579 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -78.14 144.11 36.7 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.437 -1.415 . . . . 0.0 109.492 175.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -118.99 31.2 6.76 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.88 37.23 69.15 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.5 0.572 . . . . 0.0 112.994 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.66 7.19 0.67 Allowed 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 128.806 2.842 . . . . 0.0 114.714 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.402 HG22 HD13 ' A' ' 18' ' ' LEU . 95.0 m -70.57 118.1 12.94 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.292 -1.505 . . . . 0.0 111.435 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.9 m -122.52 109.45 14.35 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.71 1.204 . . . . 0.0 110.28 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.402 HD13 HG22 ' A' ' 16' ' ' THR . 6.0 mp -120.25 144.49 47.74 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.328 1.851 . . . . 0.0 113.52 -175.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -93.11 -4.86 51.54 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.711 1.604 . . . . 0.0 113.293 176.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -145.3 154.07 41.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.317 1.047 . . . . 0.0 113.176 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.89 -169.77 14.32 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.458 1.504 . . . . 0.0 115.138 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.3 m -156.55 114.44 3.26 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 127.645 2.378 . . . . 0.0 107.643 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -73.79 78.27 1.58 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 -173.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.7 mt -51.28 -30.0 16.52 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.0 mt -70.69 -19.09 62.8 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.928 0.891 . . . . 0.0 113.306 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -102.95 -33.62 9.24 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.524 1.129 . . . . 0.0 109.537 175.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -65.89 109.61 2.57 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.714 0.688 . . . . 0.0 109.981 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.9 p -90.61 6.82 42.19 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.235 1.014 . . . . 0.0 112.147 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.24 151.2 27.72 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.55 1.548 . . . . 0.0 109.519 -174.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.52 170.47 0.1 Allowed 'General case' 0 C--O 1.239 0.521 0 C-N-CA 125.924 1.689 . . . . 0.0 114.216 -177.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.96 -11.86 5.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.374 171.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.4 t -73.4 -35.42 45.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 119.801 1.182 . . . . 0.0 109.079 171.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 p -131.31 -17.69 2.97 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 116.129 1.899 . . . . 0.0 116.129 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 82.12 14.66 0.49 Allowed 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -81.81 147.2 29.5 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.106 -1.621 . . . . 0.0 113.166 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -121.86 160.73 24.12 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.635 1.574 . . . . 0.0 109.999 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.269 4.0 p30 52.34 26.56 4.16 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.229 1.811 . . . . 0.0 114.875 -175.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.42 99.32 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 128.914 2.886 . . . . 0.0 111.246 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.11 150.05 18.19 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 176.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.44 167.09 16.73 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 131.206 3.803 . . . . 0.0 109.157 178.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.4 mt -128.76 135.66 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 125.939 1.696 . . . . 0.0 106.983 176.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.44 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.5 172.88 13.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.532 0.733 . . . . 0.0 111.754 178.463 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER 57.32 14.21 2.05 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.35 2.26 . . . . 0.0 115.575 178.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 tttp -50.38 110.4 0.4 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.912 2.085 . . . . 0.0 113.187 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.8 m -107.38 155.95 19.45 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.758 1.623 . . . . 0.0 112.022 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.46 137.78 34.17 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.691 1.596 . . . . 0.0 110.089 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -132.09 146.66 52.2 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.506 1.922 . . . . 0.0 111.559 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -141.0 116.34 10.05 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -118.81 121.53 40.26 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.494 1.518 . . . . 0.0 113.425 173.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 45.77 20.52 0.07 Allowed 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 118.509 2.781 . . . . 0.0 118.509 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.44 -20.69 9.48 Favored Glycine 0 N--CA 1.476 1.353 0 C-N-CA 125.996 1.76 . . . . 0.0 112.984 -177.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -73.95 135.38 43.21 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.586 1.154 . . . . 0.0 108.584 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -118.05 129.84 55.8 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.284 1.434 . . . . 0.0 108.543 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -122.82 139.52 49.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 123.697 0.799 . . . . 0.0 109.282 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.0 t -132.52 118.06 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 124.589 1.156 . . . . 0.0 108.806 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.3 p -122.06 133.12 54.79 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.738 0.815 . . . . 0.0 112.1 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -152.93 -171.13 3.84 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.287 -0.883 . . . . 0.0 113.165 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.7 158.14 44.19 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.844 1.257 . . . . 0.0 109.145 -177.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -112.27 140.71 46.75 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.276 1.43 . . . . 0.0 108.148 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.58 134.19 44.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.703 1.201 . . . . 0.0 111.047 -175.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.57 123.25 16.26 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.485 1.114 . . . . 0.0 110.717 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -62.61 -13.53 32.58 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.098 -1.626 . . . . 0.0 111.778 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -94.85 -67.97 0.83 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.507 1.123 . . . . 0.0 111.669 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.51 -6.14 50.36 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 72.9 m80 53.16 20.89 1.96 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.335 1.854 . . . . 0.0 115.115 -177.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.95 146.78 52.47 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.097 1.359 . . . . 0.0 107.583 169.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.6 t -75.59 105.33 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 O-C-N 121.526 -0.734 . . . . 0.0 109.879 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.0 mt -61.54 -45.48 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.444 1.498 . . . . 0.0 111.145 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.84 167.39 20.84 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.596 1.158 . . . . 0.0 112.478 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -114.97 141.11 48.43 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.794 1.638 . . . . 0.0 109.061 174.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.59 138.98 54.45 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.127 1.771 . . . . 0.0 112.428 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -139.13 132.64 30.32 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.7 1.2 . . . . 0.0 108.787 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -131.94 125.87 32.67 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.02 135.77 50.33 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -129.36 128.75 43.71 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.047 0.939 . . . . 0.0 110.294 -178.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -129.73 142.88 50.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.236 1.814 . . . . 0.0 113.702 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mt -109.84 121.93 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 O-C-N 120.954 -1.091 . . . . 0.0 109.662 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.7 24.62 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.899 1.28 . . . . 0.0 114.169 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.5 t0 51.53 -68.78 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 128.459 2.703 . . . . 0.0 117.409 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -135.47 6.59 3.27 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.881 2.072 . . . . 0.0 112.084 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -132.7 170.84 14.65 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 120.71 -1.244 . . . . 0.0 109.877 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -121.82 143.45 49.4 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 125.417 1.487 . . . . 0.0 109.355 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -121.72 129.28 52.61 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 126.824 2.05 . . . . 0.0 109.46 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -121.59 130.15 53.32 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 125.014 1.326 . . . . 0.0 109.302 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.82 142.17 36.66 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 122.097 0.951 . . . . 0.0 109.484 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 ttp -138.37 145.62 41.3 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 125.758 1.623 . . . . 0.0 109.495 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 tp -151.89 105.55 3.12 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.133 1.773 . . . . 0.0 110.293 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.9 t -142.3 136.9 30.2 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.273 1.829 . . . . 0.0 110.012 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.52 -34.12 72.23 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.196 0.998 . . . . 0.0 111.851 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 tp -96.33 -63.19 1.17 Allowed 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.973 1.309 . . . . 0.0 111.248 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 79.6 m -64.27 -37.82 88.85 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.836 0.854 . . . . 0.0 113.26 -173.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.25 175.16 13.97 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 117.65 1.82 . . . . 0.0 117.65 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.38 118.31 34.2 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.238 1.415 . . . . 0.0 110.215 174.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.76 157.19 44.56 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -150.24 137.79 19.81 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.334 1.054 . . . . 0.0 110.939 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -141.81 152.4 43.68 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.164 1.785 . . . . 0.0 111.706 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.47 132.66 37.65 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.844 -0.535 . . . . 0.0 110.464 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.3 mt -122.19 128.16 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.398 1.479 . . . . 0.0 111.26 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.3 p -83.2 136.27 34.48 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.185 -0.947 . . . . 0.0 110.308 174.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -134.37 175.86 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.238 1.415 . . . . 0.0 112.768 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 67.6 mt -140.7 157.91 66.77 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 126.078 1.751 . . . . 0.0 110.841 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -64.82 -16.22 54.26 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 123.243 2.629 . . . . 0.0 113.313 177.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -75.03 1.06 13.94 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 126.051 1.741 . . . . 0.0 113.301 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.8 t70 55.69 68.76 2.22 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 126.8 2.04 . . . . 0.0 113.799 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.12 -11.73 27.36 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.401 2.734 . . . . 0.0 114.373 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 89.0 mtm-85 49.84 39.46 18.27 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.579 1.952 . . . . 0.0 113.219 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 126.801 2.041 . . . . 0.0 112.665 -179.615 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.94 -33.99 1.05 Allowed Glycine 0 CA--C 1.53 1.02 0 C-N-CA 126.947 2.213 . . . . 0.0 111.795 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.37 -17.15 64.6 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 117.901 0.85 . . . . 0.0 110.049 169.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.4 m -63.14 -26.28 68.74 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.794 1.638 . . . . 0.0 112.764 175.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m -112.13 140.05 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.146 0.978 . . . . 0.0 111.964 -174.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.71 -38.74 92.02 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.921 -1.112 . . . . 0.0 111.109 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -136.56 143.59 43.75 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.551 1.94 . . . . 0.0 109.48 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -81.35 125.08 29.95 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.102 0.961 . . . . 0.0 109.26 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 45.8 59.68 14.72 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 124.891 1.276 . . . . 0.0 113.199 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -63.19 145.19 93.27 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.176 2.584 . . . . 0.0 111.297 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -78.22 143.9 36.73 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.291 -1.506 . . . . 0.0 109.64 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -116.54 31.19 6.88 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.22 12.51 12.33 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.034 1.778 . . . . 0.0 116.653 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 121.25 -2.9 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.129 1 C-N-CA 132.602 4.361 . . . . 0.0 115.589 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.405 HG22 HD13 ' A' ' 18' ' ' LEU . 89.6 m -64.4 116.36 6.01 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 120.936 -1.103 . . . . 0.0 112.813 -176.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.6 m -122.06 109.68 14.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.82 1.248 . . . . 0.0 110.194 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.405 HD13 HG22 ' A' ' 16' ' ' THR . 6.1 mp -119.64 145.68 46.23 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.229 1.811 . . . . 0.0 113.591 -175.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.52 -5.64 45.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.417 1.887 . . . . 0.0 113.243 176.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -148.37 152.15 36.53 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.488 1.115 . . . . 0.0 112.56 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.98 -176.18 16.21 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.462 1.506 . . . . 0.0 114.447 177.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.5 m -150.35 117.72 6.06 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.656 2.382 . . . . 0.0 108.05 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.11 77.32 2.27 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -174.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.6 mt -52.77 -25.26 10.72 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.95 1.834 . . . . 0.0 115.95 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.8 mt -74.59 -17.4 60.72 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.967 0.907 . . . . 0.0 112.93 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -104.44 -32.37 9.05 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.606 1.162 . . . . 0.0 110.386 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -66.14 104.37 1.15 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.513 0.597 . . . . 0.0 111.291 177.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.3 p -82.05 -2.29 51.3 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 121.059 -1.026 . . . . 0.0 112.911 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.22 149.34 22.84 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 126.077 1.799 . . . . 0.0 109.157 -175.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.7 t -52.83 167.22 0.16 Allowed 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.449 1.5 . . . . 0.0 113.99 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.428 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.17 -11.51 6.41 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 124.287 1.035 . . . . 0.0 112.438 172.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.6 t -72.85 -34.85 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 119.765 1.166 . . . . 0.0 108.946 171.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 p -131.73 -16.0 3.01 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 83.07 18.9 0.24 Allowed 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -91.59 138.99 31.12 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 119.937 -1.727 . . . . 0.0 114.098 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -112.76 161.39 16.95 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 126.191 1.796 . . . . 0.0 109.575 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.263 4.1 p30 51.55 27.17 3.71 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.429 1.892 . . . . 0.0 114.984 -175.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -123.72 98.74 5.96 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 128.713 2.805 . . . . 0.0 111.25 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.16 150.11 16.37 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 176.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.06 165.12 20.1 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 131.018 3.727 . . . . 0.0 108.981 178.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.5 mt -126.93 134.44 66.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 175.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.461 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -149.0 176.7 10.22 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.524 0.73 . . . . 0.0 111.257 178.315 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.0 t30 58.24 18.38 5.35 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.829 1.251 . . . . 0.0 113.668 173.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -58.25 113.99 2.2 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 127.017 2.127 . . . . 0.0 112.698 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.3 m -107.52 155.97 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 125.871 1.668 . . . . 0.0 111.754 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -139.71 137.82 35.47 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.59 1.556 . . . . 0.0 109.69 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -132.05 146.64 52.19 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 126.269 1.828 . . . . 0.0 111.491 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -139.18 116.43 11.13 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 117.923 0.328 . . . . 0.0 111.622 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -118.94 121.48 40.04 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.117 1.367 . . . . 0.0 113.233 173.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 45.07 20.69 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 118.545 2.794 . . . . 0.0 118.545 172.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.45 -21.2 9.3 Favored Glycine 0 N--CA 1.477 1.379 0 C-N-CA 126.159 1.837 . . . . 0.0 113.19 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -73.89 136.91 43.4 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.975 1.31 . . . . 0.0 108.923 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -118.04 129.88 55.83 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 125.544 1.538 . . . . 0.0 108.684 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.6 mp -123.05 138.44 53.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 124.058 0.943 . . . . 0.0 109.423 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.5 t -132.4 118.2 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 124.683 1.193 . . . . 0.0 108.9 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.2 p -122.02 134.6 54.8 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.812 0.845 . . . . 0.0 111.704 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -153.43 -168.72 3.09 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.989 -1.069 . . . . 0.0 113.161 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -141.73 158.33 43.94 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.583 1.153 . . . . 0.0 110.532 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -109.26 138.6 45.37 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 172.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 42' ' ' THR . 5.8 mp -132.85 131.77 41.38 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.722 1.209 . . . . 0.0 110.068 -175.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -57.84 124.06 17.9 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.57 1.148 . . . . 0.0 111.379 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -63.43 -12.63 32.66 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.245 -1.534 . . . . 0.0 111.708 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -97.19 -61.71 1.36 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.379 1.072 . . . . 0.0 112.481 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.0 p -99.99 -4.58 29.76 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.298 57.8 m80 52.49 19.43 1.18 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.527 1.931 . . . . 0.0 115.113 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.14 147.19 53.42 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 169.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.9 t -76.32 101.11 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 O-C-N 121.597 -0.689 . . . . 0.0 110.281 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.0 mt -57.45 -46.53 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.479 1.512 . . . . 0.0 111.337 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.69 165.1 26.09 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.483 1.113 . . . . 0.0 111.859 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -112.84 143.06 44.75 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.416 1.486 . . . . 0.0 108.341 174.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -125.47 138.42 54.0 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.313 1.445 . . . . 0.0 112.033 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -139.24 132.43 29.78 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.579 1.152 . . . . 0.0 108.738 174.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -131.55 126.12 34.07 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.59 135.84 49.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -129.13 125.91 38.15 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.151 0.98 . . . . 0.0 110.036 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.0 142.88 51.44 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.616 1.966 . . . . 0.0 113.725 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -110.47 122.73 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 O-C-N 121.09 -1.006 . . . . 0.0 110.182 174.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.8 24.81 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.915 1.286 . . . . 0.0 113.093 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 50.73 -77.1 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 127.865 2.466 . . . . 0.0 116.064 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -131.06 10.54 4.97 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.48 1.912 . . . . 0.0 112.119 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -131.07 170.27 14.73 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.665 -1.272 . . . . 0.0 109.141 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -124.89 143.5 50.82 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 125.239 1.416 . . . . 0.0 109.347 177.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -121.42 129.3 52.92 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 126.629 1.972 . . . . 0.0 109.37 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -121.01 129.92 53.58 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 124.974 1.309 . . . . 0.0 108.997 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.9 142.51 36.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.14 0.972 . . . . 0.0 109.33 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 ttp -138.0 145.02 41.39 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 125.735 1.614 . . . . 0.0 109.157 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.4 tp -151.18 104.96 3.17 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.243 1.817 . . . . 0.0 110.08 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 37.0 t -141.87 136.85 30.93 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 126.27 1.828 . . . . 0.0 109.964 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.0 tp -59.87 -33.84 72.35 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.166 0.986 . . . . 0.0 111.925 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -96.4 -62.83 1.21 Allowed 'General case' 0 C--O 1.231 0.116 0 C-N-CA 125.067 1.347 . . . . 0.0 111.299 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 84.9 m -64.63 -38.91 92.63 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.873 0.869 . . . . 0.0 113.122 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.98 174.93 13.84 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 117.671 1.828 . . . . 0.0 117.671 173.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -113.2 117.16 31.14 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.118 1.367 . . . . 0.0 109.827 174.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.67 157.28 44.52 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -150.05 138.78 20.82 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.222 1.009 . . . . 0.0 111.208 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -141.76 152.41 43.76 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.255 1.822 . . . . 0.0 111.77 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.58 134.19 39.09 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.818 -0.551 . . . . 0.0 110.517 174.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.7 mt -122.14 127.66 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.235 1.414 . . . . 0.0 111.088 -177.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.5 p -83.34 131.63 35.05 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.386 -0.821 . . . . 0.0 108.925 173.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.74 179.95 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -173.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.0 mp -121.82 163.46 31.04 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 128.079 2.552 . . . . 0.0 108.396 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -59.02 -15.7 29.01 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.18 2.587 . . . . 0.0 114.729 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -76.85 -2.45 33.49 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.466 1.506 . . . . 0.0 113.31 175.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 39.9 t0 50.47 54.94 16.28 Favored Pre-proline 0 CA--C 1.558 1.27 0 C-N-CA 127.225 2.21 . . . . 0.0 114.897 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -74.64 -20.24 17.98 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.899 3.066 . . . . 0.0 115.476 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 46.96 36.53 4.11 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 126.917 2.087 . . . . 0.0 115.231 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 . . . . . 0 N--CA 1.474 0.75 0 C-N-CA 126.559 1.943 . . . . 0.0 113.259 -179.274 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.75 -33.81 1.02 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 126.933 2.206 . . . . 0.0 111.793 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -65.74 -19.12 65.78 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 117.957 0.879 . . . . 0.0 109.88 169.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.9 m -62.1 -25.61 67.82 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.199 1.8 . . . . 0.0 113.159 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.3 m -112.04 138.63 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.406 1.082 . . . . 0.0 111.716 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -64.06 -38.65 91.86 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.484 1.114 . . . . 0.0 110.953 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -137.1 143.91 42.79 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.55 1.94 . . . . 0.0 109.459 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -81.28 124.88 29.7 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.185 0.994 . . . . 0.0 109.305 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 46.12 59.91 14.82 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 124.857 1.263 . . . . 0.0 113.172 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -62.72 146.59 95.21 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.196 2.598 . . . . 0.0 111.617 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -76.38 145.25 39.53 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.722 -1.236 . . . . 0.0 109.181 175.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -119.99 28.73 7.92 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -175.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.85 37.11 68.4 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.323 0.487 . . . . 0.0 113.026 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 81.42 7.91 1.09 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 128.762 2.825 . . . . 0.0 114.851 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.43 HG22 HD13 ' A' ' 18' ' ' LEU . 95.2 m -71.27 117.61 13.01 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.24 -1.538 . . . . 0.0 111.412 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.8 m -121.65 109.53 14.87 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.519 1.128 . . . . 0.0 110.426 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.43 HD13 HG22 ' A' ' 16' ' ' THR . 6.6 mp -120.95 148.91 43.43 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.894 1.678 . . . . 0.0 114.071 -174.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.41 2.28 39.28 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.598 2.359 . . . . 0.0 112.789 176.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -141.51 159.07 42.97 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.373 1.469 . . . . 0.0 113.109 -176.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.01 -173.93 35.18 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.104 1.335 . . . . 0.0 116.36 174.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 m -145.49 133.41 21.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 128.103 2.561 . . . . 0.0 108.521 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -86.27 74.25 10.04 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.1 -25.56 13.42 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.1 mt -71.21 -19.97 62.32 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.262 1.025 . . . . 0.0 113.163 175.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -101.4 -33.5 9.97 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.651 1.18 . . . . 0.0 110.071 174.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -65.2 111.91 3.18 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.771 -0.581 . . . . 0.0 110.245 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.9 p -90.09 2.76 54.9 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.479 1.112 . . . . 0.0 112.298 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.49 149.98 26.29 Favored Glycine 0 CA--C 1.534 1.244 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -174.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.4 t -53.43 168.66 0.15 Allowed 'General case' 0 C--O 1.239 0.547 0 C-N-CA 125.409 1.483 . . . . 0.0 114.106 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.435 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.52 -11.69 6.19 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 124.35 1.06 . . . . 0.0 112.424 171.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.0 t -73.45 -35.4 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 119.758 1.163 . . . . 0.0 109.044 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.1 p -131.18 -16.55 3.15 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 81.38 16.25 0.52 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -84.23 146.89 27.56 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.105 -1.622 . . . . 0.0 113.235 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -122.1 162.27 21.57 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.635 1.574 . . . . 0.0 109.851 174.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.283 4.0 p30 52.85 26.09 4.35 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.187 1.795 . . . . 0.0 114.812 -175.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -123.84 99.4 6.26 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 128.751 2.82 . . . . 0.0 111.572 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.36 150.31 17.97 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 175.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.52 166.08 18.65 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 131.336 3.854 . . . . 0.0 109.163 178.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.5 mt -128.92 135.05 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 125.842 1.657 . . . . 0.0 106.759 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.437 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.92 172.76 13.67 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.356 0.662 . . . . 0.0 111.848 178.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.279 0.0 OUTLIER 58.8 14.86 3.45 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 127.521 2.328 . . . . 0.0 115.004 178.822 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -51.68 111.21 0.56 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.719 2.008 . . . . 0.0 113.028 -178.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.6 m -107.48 156.06 19.39 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 125.44 1.496 . . . . 0.0 112.102 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.08 137.82 34.84 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.684 1.593 . . . . 0.0 110.046 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -131.85 146.64 52.24 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 126.435 1.894 . . . . 0.0 111.065 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -138.44 116.22 11.49 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.833 0.349 . . . . 0.0 110.7 175.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -118.84 121.47 40.09 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.346 1.458 . . . . 0.0 113.268 174.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 45.41 20.96 0.06 Allowed 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 118.374 2.731 . . . . 0.0 118.374 172.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.86 -21.16 9.71 Favored Glycine 0 N--CA 1.477 1.369 0 C-N-CA 126.25 1.881 . . . . 0.0 113.26 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -74.97 137.16 41.4 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.007 1.323 . . . . 0.0 108.984 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -117.93 129.79 55.83 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.696 1.598 . . . . 0.0 108.679 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.408 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.99 139.5 50.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 123.96 0.904 . . . . 0.0 109.433 -177.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.0 t -132.53 118.17 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.814 1.246 . . . . 0.0 108.929 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.9 p -121.93 135.33 54.86 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.426 0.691 . . . . 0.0 112.123 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -153.45 -171.08 3.79 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 178.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.69 158.16 44.16 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.096 1.358 . . . . 0.0 108.776 -178.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -112.52 141.34 46.39 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.158 1.383 . . . . 0.0 107.927 176.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.437 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.98 134.47 44.53 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.557 1.143 . . . . 0.0 110.968 -175.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -59.93 123.81 18.22 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.335 1.054 . . . . 0.0 110.597 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -63.11 -12.76 29.46 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 120.155 -1.591 . . . . 0.0 111.832 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -95.63 -68.32 0.81 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.581 1.152 . . . . 0.0 111.597 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.6 p -91.97 -6.45 51.24 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 71.9 m80 53.49 20.43 2.05 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 126.347 1.859 . . . . 0.0 115.061 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.18 146.65 53.2 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.965 1.306 . . . . 0.0 107.66 169.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.6 t -75.5 105.27 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 O-C-N 121.71 -0.618 . . . . 0.0 109.96 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.6 -45.37 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.415 1.486 . . . . 0.0 111.157 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.59 167.29 21.46 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.547 1.139 . . . . 0.0 112.454 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -115.25 140.59 48.97 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.783 1.633 . . . . 0.0 109.038 174.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -122.63 138.87 54.46 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.126 1.771 . . . . 0.0 112.453 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -140.15 131.05 26.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.451 1.1 . . . . 0.0 108.966 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -130.13 126.45 37.56 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 173.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.408 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -128.93 135.81 49.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.899 0.857 . . . . 0.0 108.74 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -128.58 126.86 41.17 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.103 0.961 . . . . 0.0 110.022 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.45 142.86 51.3 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.502 1.921 . . . . 0.0 113.645 -176.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.1 122.02 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.154 -0.967 . . . . 0.0 109.815 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.3 ptp -119.41 115.69 24.62 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.654 1.181 . . . . 0.0 113.16 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 49.49 -76.33 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 127.875 2.47 . . . . 0.0 116.787 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -130.7 12.81 5.36 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.174 2.19 . . . . 0.0 112.097 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -136.58 168.81 18.78 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 120.984 -1.073 . . . . 0.0 109.295 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -122.27 143.53 49.55 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.017 1.327 . . . . 0.0 109.462 175.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -121.7 130.93 53.8 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 126.745 2.018 . . . . 0.0 109.782 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -122.02 130.16 53.05 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 125.102 1.361 . . . . 0.0 109.144 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.91 142.61 36.46 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.845 0.831 . . . . 0.0 109.22 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.4 ttp -137.57 145.53 42.95 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 125.83 1.652 . . . . 0.0 109.315 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 tp -152.04 105.39 3.07 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.115 1.766 . . . . 0.0 110.318 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.2 t -141.96 136.62 30.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.218 1.807 . . . . 0.0 109.953 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.8 tp -59.58 -34.4 72.66 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.045 0.938 . . . . 0.0 111.851 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.0 tp -95.71 -63.48 1.15 Allowed 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.855 1.262 . . . . 0.0 110.975 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 72.9 m -64.25 -37.3 86.98 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -173.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.31 175.16 14.0 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 117.559 1.784 . . . . 0.0 117.559 172.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -111.76 120.81 43.26 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.185 1.394 . . . . 0.0 110.017 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.78 157.22 44.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -150.91 137.82 19.06 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.978 0.911 . . . . 0.0 110.79 174.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -141.89 152.43 43.57 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.019 1.728 . . . . 0.0 111.542 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.46 135.54 40.59 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.786 -0.571 . . . . 0.0 110.547 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.2 mt -122.19 125.42 72.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.836 1.254 . . . . 0.0 110.406 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.9 p -83.85 136.81 33.98 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.785 -0.572 . . . . 0.0 109.924 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.5 pt -129.83 164.56 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.188 1.395 . . . . 0.0 113.431 -174.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.9 mt -146.46 156.41 49.36 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 126.127 1.771 . . . . 0.0 109.949 176.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.56 -16.79 55.27 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.038 2.492 . . . . 0.0 113.153 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -75.68 0.85 16.27 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.339 1.856 . . . . 0.0 114.036 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.9 t0 52.12 66.53 4.97 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 126.346 1.858 . . . . 0.0 113.899 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.53 -44.84 0.47 Allowed 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 123.428 2.752 . . . . 0.0 111.551 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -145.95 -10.55 0.51 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 126.636 1.974 . . . . 0.0 115.061 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 . . . . . 0 N--CA 1.472 0.658 0 C-N-CA 126.156 1.783 . . . . 0.0 109.914 179.707 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.19 -34.89 1.09 Allowed Glycine 0 CA--C 1.532 1.103 0 C-N-CA 126.87 2.176 . . . . 0.0 111.358 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -66.15 -18.72 65.52 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.725 -0.867 . . . . 0.0 109.885 169.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 75.0 m -61.63 -26.84 68.25 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.207 1.803 . . . . 0.0 112.84 174.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 m -111.19 139.67 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.319 1.048 . . . . 0.0 111.847 -174.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.6 -40.71 95.99 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.939 1.296 . . . . 0.0 110.467 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -134.31 141.84 47.06 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 127.041 2.136 . . . . 0.0 109.27 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -81.89 123.56 28.95 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.616 0.766 . . . . 0.0 109.057 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 47.29 60.14 15.56 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.726 1.21 . . . . 0.0 113.083 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -62.81 146.45 95.05 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.247 2.632 . . . . 0.0 111.407 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -78.24 145.34 35.53 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.632 -1.292 . . . . 0.0 109.424 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.7 mmm-85 -119.18 28.79 8.03 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -174.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.55 37.25 74.52 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.325 0.488 . . . . 0.0 112.908 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 81.99 7.57 0.98 Allowed 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 128.676 2.791 . . . . 0.0 114.746 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.412 HG22 HD13 ' A' ' 18' ' ' LEU . 95.8 m -70.83 118.68 13.91 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.33 -1.481 . . . . 0.0 111.521 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.9 m -122.36 110.02 15.13 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.671 1.188 . . . . 0.0 110.349 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.412 HD13 HG22 ' A' ' 16' ' ' THR . 5.7 mp -118.83 144.66 46.21 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.315 1.846 . . . . 0.0 113.915 -175.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.24 -7.35 39.21 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.944 2.098 . . . . 0.0 113.585 177.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -148.23 147.87 29.86 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.816 1.246 . . . . 0.0 111.469 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.63 -173.92 18.12 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.912 1.244 . . . . 0.0 115.118 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 m -152.67 128.6 10.29 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.855 2.462 . . . . 0.0 108.446 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -87.95 75.84 8.74 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -175.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.46 -25.54 16.69 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.91 -18.61 62.02 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.98 0.912 . . . . 0.0 113.143 175.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -102.99 -33.71 9.19 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.783 1.233 . . . . 0.0 109.661 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -65.16 111.18 2.82 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.507 -0.745 . . . . 0.0 110.169 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.0 p -90.39 2.82 55.21 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.288 1.035 . . . . 0.0 112.334 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.2 148.98 24.86 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.238 1.399 . . . . 0.0 109.686 -175.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 7.2 t -53.35 166.87 0.23 Allowed 'General case' 0 C--O 1.239 0.527 0 C-N-CA 125.38 1.472 . . . . 0.0 114.136 -177.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -125.36 -11.59 6.87 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.313 1.045 . . . . 0.0 112.295 172.223 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.65 -35.23 43.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 119.817 1.19 . . . . 0.0 109.139 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.6 p -131.92 -14.98 3.06 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 79.45 21.19 0.62 Allowed 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -89.58 146.22 24.72 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 119.814 -1.804 . . . . 0.0 113.104 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -121.68 162.34 20.91 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.606 1.562 . . . . 0.0 109.944 174.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.285 4.0 p30 52.9 26.19 4.48 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.134 1.774 . . . . 0.0 114.852 -175.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -123.77 99.61 6.36 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 128.81 2.844 . . . . 0.0 111.448 -177.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.24 150.06 17.97 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 175.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.16 166.17 18.18 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 131.333 3.853 . . . . 0.0 109.346 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.6 mt -128.39 134.06 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 126.002 1.721 . . . . 0.0 106.878 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.437 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -146.95 171.48 15.18 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.267 0.627 . . . . 0.0 111.572 178.425 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.281 0.0 OUTLIER 58.22 13.92 2.56 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 127.292 2.237 . . . . 0.0 115.134 179.121 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -51.95 108.1 0.25 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 127.256 2.223 . . . . 0.0 112.43 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.7 m -107.48 156.15 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.575 1.55 . . . . 0.0 112.515 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tt -139.79 137.76 35.29 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.15 1.38 . . . . 0.0 110.606 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -132.08 146.65 52.19 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 127.138 2.175 . . . . 0.0 111.233 -178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -139.05 116.35 11.14 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.804 0.335 . . . . 0.0 111.487 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -118.92 121.39 39.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.26 1.424 . . . . 0.0 113.356 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 46.03 20.67 0.08 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 118.372 2.73 . . . . 0.0 118.372 172.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.63 -21.12 9.91 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 126.204 1.859 . . . . 0.0 113.212 -177.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -74.78 136.2 41.68 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.761 1.224 . . . . 0.0 108.781 174.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -118.06 129.82 55.78 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.543 1.537 . . . . 0.0 108.632 176.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.404 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.65 139.2 50.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 123.875 0.87 . . . . 0.0 109.446 -178.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.5 t -132.42 118.2 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 124.995 1.318 . . . . 0.0 109.002 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.8 p -121.96 135.67 54.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.381 0.673 . . . . 0.0 111.743 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -152.23 -172.34 4.2 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.179 -0.95 . . . . 0.0 113.193 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.7 158.18 44.14 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.838 1.255 . . . . 0.0 108.616 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -112.84 141.35 46.75 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.035 1.334 . . . . 0.0 108.069 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.437 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.97 134.73 44.88 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.573 1.149 . . . . 0.0 110.996 -175.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -60.33 123.7 18.05 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.293 1.037 . . . . 0.0 110.721 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -62.94 -13.46 34.88 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.064 -1.647 . . . . 0.0 111.712 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -94.94 -67.91 0.83 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.443 1.097 . . . . 0.0 111.62 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.2 p -92.56 -6.29 49.9 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -177.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 73.3 m80 53.52 20.71 2.18 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.407 1.883 . . . . 0.0 115.045 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.15 146.59 53.28 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 169.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 80.7 t -75.8 104.69 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 O-C-N 121.647 -0.658 . . . . 0.0 109.881 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.9 -45.94 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.678 1.591 . . . . 0.0 111.24 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.14 167.84 21.63 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.615 1.166 . . . . 0.0 112.579 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.53 140.4 49.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.805 1.642 . . . . 0.0 109.129 174.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -122.44 139.83 53.41 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.309 1.844 . . . . 0.0 112.642 -177.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -140.18 133.36 29.65 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.625 1.17 . . . . 0.0 108.909 174.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -132.49 125.89 31.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 173.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.404 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -128.65 135.78 49.76 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -128.94 127.74 42.35 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.199 0.999 . . . . 0.0 110.286 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.81 142.87 50.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.369 1.868 . . . . 0.0 113.753 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -109.98 121.99 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 O-C-N 121.127 -0.983 . . . . 0.0 110.028 175.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.37 115.74 24.74 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.883 1.273 . . . . 0.0 113.903 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.7 t0 52.67 -70.63 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.421 2.688 . . . . 0.0 116.703 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -137.16 8.96 2.97 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.698 1.999 . . . . 0.0 111.956 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.1 170.28 14.22 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 120.815 -1.178 . . . . 0.0 109.213 -175.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -123.35 143.49 50.06 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.088 1.355 . . . . 0.0 109.321 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -121.63 129.38 52.77 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 126.725 2.01 . . . . 0.0 109.271 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -121.19 129.89 53.44 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.924 1.289 . . . . 0.0 109.129 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.89 141.89 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 122.047 0.927 . . . . 0.0 109.519 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.3 ttp -138.1 145.45 41.69 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 125.794 1.638 . . . . 0.0 109.421 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.65 105.66 3.17 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.228 1.811 . . . . 0.0 110.348 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.2 t -142.12 136.71 30.34 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 126.249 1.82 . . . . 0.0 110.015 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.8 tp -59.5 -34.48 72.65 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.227 1.011 . . . . 0.0 111.743 176.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.4 tp -95.65 -63.7 1.13 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.967 1.307 . . . . 0.0 111.04 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.0 m -64.39 -36.91 85.68 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -173.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.62 174.73 13.85 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 117.858 1.903 . . . . 0.0 117.858 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -113.09 118.42 34.72 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.259 1.424 . . . . 0.0 110.191 174.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.77 157.24 44.52 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -150.87 137.75 19.05 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.265 1.026 . . . . 0.0 111.121 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -141.74 152.49 43.86 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.187 1.795 . . . . 0.0 111.693 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.5 133.7 38.74 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.792 -0.567 . . . . 0.0 110.55 174.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.2 mt -122.25 126.84 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.233 1.413 . . . . 0.0 111.124 -177.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.2 p -81.45 134.05 35.49 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.208 -0.932 . . . . 0.0 109.099 173.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.95 -175.71 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.512 1.125 . . . . 0.0 113.983 -174.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 72.6 mt -134.89 164.6 42.88 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 128.658 2.783 . . . . 0.0 108.85 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -59.15 -14.94 25.95 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 123.162 2.575 . . . . 0.0 114.787 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -76.93 -2.69 34.98 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.347 1.459 . . . . 0.0 113.033 174.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t0 50.83 56.19 17.0 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 127.36 2.264 . . . . 0.0 115.063 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -70.94 -22.61 26.43 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.226 2.617 . . . . 0.0 114.185 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . 0.271 9.3 ptm180 36.3 45.36 0.34 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.024 2.53 . . . . 0.0 116.117 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.4 pt20 . . . . . 0 CA--C 1.544 0.714 0 C-N-CA 126.394 1.878 . . . . 0.0 113.49 -179.813 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.7 -33.81 1.01 Allowed Glycine 0 CA--C 1.531 1.057 0 C-N-CA 126.907 2.194 . . . . 0.0 111.888 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.46 -18.25 65.25 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 118.11 0.955 . . . . 0.0 109.975 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.2 m -61.8 -27.06 68.49 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.925 1.69 . . . . 0.0 112.908 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 m -111.09 139.0 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.69 1.196 . . . . 0.0 111.72 -174.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.04 -38.25 90.25 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.921 -1.112 . . . . 0.0 111.228 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -137.07 144.15 42.98 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.58 1.952 . . . . 0.0 109.369 175.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -81.63 124.64 29.72 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.077 0.951 . . . . 0.0 109.321 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 45.96 59.71 14.88 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 124.944 1.298 . . . . 0.0 113.43 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -63.2 145.14 93.23 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.283 2.656 . . . . 0.0 111.681 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -76.48 143.04 40.74 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.916 -1.115 . . . . 0.0 109.262 176.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.53 31.05 6.76 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -175.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.9 36.7 67.44 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 123.371 0.51 . . . . 0.0 113.146 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 83.19 7.85 0.7 Allowed 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 128.694 2.797 . . . . 0.0 114.779 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.411 HG22 HD13 ' A' ' 18' ' ' LEU . 96.0 m -70.84 117.75 12.75 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.247 -1.533 . . . . 0.0 111.595 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.2 m -121.64 109.8 15.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.48 1.112 . . . . 0.0 110.417 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD13 HG22 ' A' ' 16' ' ' THR . 5.9 mp -119.28 144.85 46.57 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.312 1.845 . . . . 0.0 113.618 -175.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 12.8 pt-20 -96.13 -2.09 47.17 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.372 1.469 . . . . 0.0 113.128 176.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -148.96 155.19 40.47 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.346 1.058 . . . . 0.0 112.718 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.07 -174.98 15.66 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.676 1.608 . . . . 0.0 114.324 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.4 m -150.18 116.94 5.85 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.472 2.309 . . . . 0.0 108.052 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -74.12 77.71 1.75 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 -173.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 mt -51.44 -30.15 18.5 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.8 mt -70.37 -20.19 62.97 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.861 0.864 . . . . 0.0 113.286 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -101.04 -33.66 10.06 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.161 0.984 . . . . 0.0 109.788 174.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -65.98 109.9 2.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.263 0.483 . . . . 0.0 110.01 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 p -91.06 7.73 38.99 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.237 1.015 . . . . 0.0 112.224 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.67 150.79 26.85 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.29 1.424 . . . . 0.0 109.631 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.1 t -53.56 170.06 0.12 Allowed 'General case' 0 C--O 1.24 0.556 0 C-N-CA 125.785 1.634 . . . . 0.0 114.268 -177.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.44 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.33 -11.58 5.73 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.377 171.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -73.9 -35.36 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 119.702 1.137 . . . . 0.0 109.003 171.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.0 p -131.68 -17.08 2.9 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 82.02 14.31 0.52 Allowed 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -82.24 145.49 30.0 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 119.971 -1.706 . . . . 0.0 113.184 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -119.97 160.66 22.32 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.798 1.639 . . . . 0.0 110.027 175.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.2 26.69 4.1 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.314 1.846 . . . . 0.0 114.934 -175.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.41 98.96 6.17 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 128.751 2.82 . . . . 0.0 111.372 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.49 150.45 19.62 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 176.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.16 166.23 18.07 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 131.283 3.833 . . . . 0.0 108.994 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 88.9 mt -128.78 134.96 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.839 1.656 . . . . 0.0 106.855 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.441 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.64 173.17 12.99 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.278 0.631 . . . . 0.0 111.911 178.578 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.281 0.0 OUTLIER 57.43 16.54 3.28 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.396 2.278 . . . . 0.0 115.184 178.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -53.2 112.99 0.98 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.671 1.988 . . . . 0.0 113.291 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.2 m -107.44 156.16 19.26 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 125.795 1.638 . . . . 0.0 112.104 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -139.69 137.81 35.49 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.724 1.61 . . . . 0.0 109.698 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -132.09 146.63 52.18 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 126.256 1.823 . . . . 0.0 111.451 -178.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -139.22 116.41 11.1 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.753 0.311 . . . . 0.0 111.647 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.85 121.42 39.96 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.049 1.34 . . . . 0.0 113.302 173.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 44.98 20.98 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 118.401 2.741 . . . . 0.0 118.401 172.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.19 -21.16 9.48 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 126.184 1.85 . . . . 0.0 113.253 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -73.75 136.76 43.67 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.95 1.3 . . . . 0.0 108.901 174.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -118.02 129.79 55.79 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.431 1.492 . . . . 0.0 108.704 176.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.14 138.61 52.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 124.056 0.942 . . . . 0.0 109.497 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.8 t -132.46 118.1 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.672 1.189 . . . . 0.0 108.894 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.4 p -121.89 134.99 54.86 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.683 0.793 . . . . 0.0 111.979 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -154.19 -171.27 3.81 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.079 -1.013 . . . . 0.0 113.525 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.67 158.21 44.1 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.844 1.257 . . . . 0.0 109.099 -178.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -112.46 141.33 46.34 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.167 1.387 . . . . 0.0 108.389 177.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.441 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.45 134.78 45.5 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.712 1.205 . . . . 0.0 111.023 -176.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.76 123.4 16.85 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.457 1.103 . . . . 0.0 110.593 177.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -63.06 -13.42 35.67 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.128 -1.607 . . . . 0.0 111.637 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -94.91 -68.13 0.82 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.454 1.102 . . . . 0.0 111.647 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.6 p -92.1 -6.36 51.02 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 73.3 m80 53.67 21.04 2.43 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.374 1.87 . . . . 0.0 114.948 -177.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.11 146.82 52.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.123 1.369 . . . . 0.0 107.572 169.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 80.8 t -75.56 104.81 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 O-C-N 121.502 -0.749 . . . . 0.0 109.986 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.42 -45.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.516 1.526 . . . . 0.0 111.208 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.35 168.75 20.01 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.487 1.115 . . . . 0.0 112.778 -175.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.93 140.2 49.75 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.067 1.747 . . . . 0.0 109.245 174.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -123.06 139.73 53.76 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 126.102 1.761 . . . . 0.0 112.725 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -140.19 133.1 29.26 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.624 1.17 . . . . 0.0 108.703 174.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.4 ' CD2' ' HB3' ' A' ' 19' ' ' GLU . 11.8 t80 -131.98 126.66 34.53 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 174.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.28 135.85 49.3 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -129.22 127.42 41.24 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.146 0.978 . . . . 0.0 109.926 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.29 142.94 50.99 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.387 1.875 . . . . 0.0 113.51 -176.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.3 mt -109.76 121.97 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 O-C-N 121.0 -1.062 . . . . 0.0 109.75 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.43 115.68 24.57 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.811 1.245 . . . . 0.0 114.133 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.2 t0 51.27 -68.62 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 128.483 2.713 . . . . 0.0 117.457 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -135.36 6.23 3.28 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.931 2.092 . . . . 0.0 112.178 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -132.59 170.7 14.81 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.77 -1.206 . . . . 0.0 109.929 -175.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -121.83 143.52 49.36 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 125.039 1.336 . . . . 0.0 109.398 175.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -121.87 130.97 53.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 126.84 2.056 . . . . 0.0 109.461 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -122.45 130.43 53.06 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 124.97 1.308 . . . . 0.0 109.2 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.9 142.98 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 122.078 0.942 . . . . 0.0 109.581 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 53.3 ttp -138.86 145.04 39.51 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 125.871 1.668 . . . . 0.0 109.328 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 tp -151.98 105.27 3.07 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.897 1.679 . . . . 0.0 110.296 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.7 t -141.99 136.81 30.68 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.361 1.864 . . . . 0.0 110.1 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.1 tp -59.16 -34.48 72.14 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.265 1.026 . . . . 0.0 111.817 176.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -96.15 -63.71 1.12 Allowed 'General case' 0 C--O 1.231 0.12 0 C-N-CA 125.021 1.328 . . . . 0.0 111.315 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 75.5 m -63.8 -37.47 87.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -173.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.55 175.27 14.03 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 172.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -112.41 118.7 35.9 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.699 1.6 . . . . 0.0 110.285 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.78 157.24 44.52 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -150.78 137.71 19.11 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.186 0.994 . . . . 0.0 110.86 174.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -141.75 152.47 43.83 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.32 1.848 . . . . 0.0 111.84 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.23 132.59 36.06 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.823 -0.548 . . . . 0.0 110.692 174.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.6 mt -122.22 127.29 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.365 1.466 . . . . 0.0 111.155 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.0 p -81.4 138.73 35.56 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.224 -0.923 . . . . 0.0 110.271 174.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -134.99 176.54 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.949 1.3 . . . . 0.0 112.695 -177.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 67.3 mt -140.52 161.13 56.41 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 126.55 1.94 . . . . 0.0 110.504 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -61.94 -17.9 58.26 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.198 2.599 . . . . 0.0 113.363 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.06 -2.14 23.07 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.78 1.632 . . . . 0.0 113.085 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.2 t0 52.58 58.14 14.9 Favored Pre-proline 0 CA--C 1.554 1.12 0 C-N-CA 126.899 2.08 . . . . 0.0 114.642 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.56 -24.24 30.81 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.189 2.593 . . . . 0.0 112.649 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 38.73 45.4 0.91 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.664 2.786 . . . . 0.0 115.789 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 . . . . . 0 N--CA 1.474 0.75 0 C-N-CA 125.127 1.371 . . . . 0.0 114.484 -178.491 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.75 -34.05 1.02 Allowed Glycine 0 CA--C 1.531 1.057 0 C-N-CA 127.021 2.248 . . . . 0.0 111.834 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -66.0 -18.33 65.27 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 118.033 0.917 . . . . 0.0 109.998 169.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.93 -26.77 68.38 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.736 1.614 . . . . 0.0 112.855 175.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 m -111.33 138.79 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.375 1.07 . . . . 0.0 112.197 -174.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.99 -40.19 94.59 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.861 1.265 . . . . 0.0 110.693 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 11' ' ' PRO . 28.7 mtmm -134.7 138.8 44.71 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.626 1.971 . . . . 0.0 108.969 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.09 124.65 29.39 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.693 0.797 . . . . 0.0 109.272 175.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 46.1 59.88 14.83 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 124.844 1.258 . . . . 0.0 113.027 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.404 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 71.7 Cg_endo -62.98 144.51 93.19 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.42 2.747 . . . . 0.0 111.615 -178.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -77.29 144.3 38.21 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.358 -1.464 . . . . 0.0 109.43 175.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.6 mmm-85 -116.92 30.01 7.58 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.11 0.964 . . . . 0.0 113.522 -176.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.33 12.67 13.25 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 126.156 1.836 . . . . 0.0 116.604 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 120.21 -2.49 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.132 1 C-N-CA 132.662 4.385 . . . . 0.0 115.576 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.419 HG22 HD13 ' A' ' 18' ' ' LEU . 88.7 m -65.31 117.47 7.9 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 120.881 -1.137 . . . . 0.0 112.737 -175.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.0 m -122.41 108.71 13.51 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.752 1.221 . . . . 0.0 110.121 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.419 HD13 HG22 ' A' ' 16' ' ' THR . 6.1 mp -118.83 146.63 44.7 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.043 1.737 . . . . 0.0 113.489 -175.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.41 -6.21 44.61 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.403 1.881 . . . . 0.0 113.209 176.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -148.78 152.45 36.57 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.498 1.119 . . . . 0.0 112.591 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.15 -175.77 16.38 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.535 1.541 . . . . 0.0 114.34 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -151.72 117.49 5.45 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.353 2.261 . . . . 0.0 108.337 176.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -74.86 76.71 2.13 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.3 mt -52.05 -30.43 25.66 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -178.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.8 mt -69.49 -16.48 63.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.72 1.208 . . . . 0.0 113.567 176.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -107.89 -30.68 8.36 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.841 1.256 . . . . 0.0 109.982 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -67.7 112.16 4.65 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.982 0.81 . . . . 0.0 109.96 174.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 p -93.28 8.74 39.12 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.6 1.16 . . . . 0.0 112.537 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.21 150.12 25.42 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.175 1.369 . . . . 0.0 109.909 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.67 169.87 0.13 Allowed 'General case' 0 C--O 1.239 0.52 0 C-N-CA 125.955 1.702 . . . . 0.0 114.094 -177.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -128.59 -12.04 4.95 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 114.529 -1.214 . . . . 0.0 112.584 171.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 36.6 t -72.94 -35.49 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 119.946 1.248 . . . . 0.0 109.043 171.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.6 p -130.77 -17.62 3.17 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.53 16.73 0.48 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.541 1.936 . . . . 0.0 116.059 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -82.88 149.52 27.06 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 119.73 -1.856 . . . . 0.0 112.895 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -125.48 160.98 28.13 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.607 1.563 . . . . 0.0 109.989 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.274 4.0 p30 52.88 26.06 4.37 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.119 1.768 . . . . 0.0 114.551 -174.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -123.15 98.95 6.11 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 128.918 2.887 . . . . 0.0 111.326 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.06 149.42 15.99 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 176.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.33 166.53 17.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 131.02 3.728 . . . . 0.0 109.172 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.8 mt -127.57 134.34 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 125.629 1.572 . . . . 0.0 106.881 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.457 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -149.61 177.81 9.42 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.692 0.797 . . . . 0.0 111.07 178.002 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.1 t30 57.63 20.18 6.07 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.627 1.171 . . . . 0.0 113.479 174.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -61.32 114.68 3.32 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 127.182 2.193 . . . . 0.0 112.833 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.5 m -107.53 156.09 19.38 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.822 1.649 . . . . 0.0 111.783 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -139.63 137.7 35.51 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.581 1.552 . . . . 0.0 109.698 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -131.94 146.63 52.21 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 126.576 1.951 . . . . 0.0 111.097 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -138.95 116.32 11.19 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.764 0.316 . . . . 0.0 110.818 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -118.79 121.43 40.05 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.007 1.323 . . . . 0.0 113.096 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 t70 45.01 20.43 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.31 0 N-CA-C 118.389 2.737 . . . . 0.0 118.389 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.34 -21.03 9.44 Favored Glycine 0 N--CA 1.478 1.439 0 C-N-CA 126.302 1.906 . . . . 0.0 113.271 -176.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -74.55 137.45 42.41 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.242 1.417 . . . . 0.0 108.956 174.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -118.1 129.86 55.79 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.56 1.544 . . . . 0.0 108.735 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.414 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.84 139.1 51.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 C-N-CA 123.844 0.858 . . . . 0.0 109.421 -178.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.49 118.05 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.8 1.24 . . . . 0.0 109.028 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.7 p -121.95 135.3 54.85 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.636 0.774 . . . . 0.0 111.748 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -154.13 -168.53 2.98 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.994 -1.066 . . . . 0.0 113.165 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -141.67 158.34 43.94 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.383 1.073 . . . . 0.0 109.778 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -108.45 138.92 43.94 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 172.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.457 ' CD1' HG22 ' A' ' 42' ' ' THR . 6.0 mp -132.41 131.34 41.69 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.462 1.105 . . . . 0.0 110.41 -175.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.4 t -57.79 124.02 17.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.53 1.132 . . . . 0.0 110.888 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -62.78 -13.82 37.74 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.092 -1.63 . . . . 0.0 111.749 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -94.82 -67.45 0.85 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.358 1.063 . . . . 0.0 111.783 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.6 p -92.6 -6.54 49.27 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.312 70.3 m80 52.54 21.41 1.79 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.399 1.88 . . . . 0.0 114.973 -176.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.19 146.65 52.24 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.186 1.394 . . . . 0.0 107.46 169.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.5 t -75.14 105.38 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 121.593 -0.692 . . . . 0.0 109.847 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.1 mt -60.82 -44.71 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 125.498 1.519 . . . . 0.0 110.794 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -164.67 163.93 21.51 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.764 1.226 . . . . 0.0 111.997 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -109.91 142.74 40.83 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.132 1.373 . . . . 0.0 108.596 173.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -123.81 137.96 54.58 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.854 1.661 . . . . 0.0 111.527 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -138.07 131.54 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.607 1.163 . . . . 0.0 108.77 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -130.9 126.22 35.58 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 174.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.414 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -128.93 135.78 49.49 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -128.55 126.57 40.62 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.017 0.927 . . . . 0.0 109.685 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.74 142.82 51.21 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.576 1.95 . . . . 0.0 113.602 -176.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.3 mt -109.6 121.98 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 O-C-N 121.136 -0.977 . . . . 0.0 109.68 174.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.49 115.69 24.57 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.792 1.237 . . . . 0.0 114.221 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.1 t0 51.84 -69.04 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 128.459 2.704 . . . . 0.0 117.184 175.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -135.79 6.79 3.2 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.917 2.087 . . . . 0.0 112.179 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.92 170.29 15.09 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 120.796 -1.19 . . . . 0.0 109.909 -175.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -121.69 143.46 49.34 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 124.956 1.302 . . . . 0.0 109.194 175.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -122.17 130.68 53.44 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 126.848 2.059 . . . . 0.0 109.562 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -121.81 129.61 52.77 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 125.043 1.337 . . . . 0.0 109.035 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -140.0 143.02 36.26 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 122.066 0.936 . . . . 0.0 109.044 177.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.7 ttp -137.71 145.53 42.65 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 125.732 1.613 . . . . 0.0 109.299 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 tp -151.23 105.79 3.25 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.256 1.823 . . . . 0.0 110.098 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.8 t -142.35 136.01 29.21 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 126.261 1.824 . . . . 0.0 109.764 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.9 tp -59.57 -34.18 72.38 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.073 0.949 . . . . 0.0 111.824 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.5 tp -94.59 -63.36 1.19 Allowed 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.882 1.273 . . . . 0.0 111.55 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 80.4 m -65.77 -38.68 89.71 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.626 1.17 . . . . 0.0 113.494 -173.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.82 174.16 13.59 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 118.309 2.084 . . . . 0.0 118.309 173.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -113.47 116.81 30.18 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.325 1.45 . . . . 0.0 109.894 174.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.74 157.35 44.45 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -150.12 138.97 20.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.211 1.005 . . . . 0.0 111.216 176.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -141.69 152.41 43.85 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.145 1.778 . . . . 0.0 111.589 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.6 m -136.59 133.79 36.72 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.701 -0.625 . . . . 0.0 110.711 174.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.0 mt -122.22 126.54 74.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.306 1.442 . . . . 0.0 110.755 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.8 p -81.45 136.91 35.68 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.217 -0.927 . . . . 0.0 109.617 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -133.33 179.19 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.863 1.265 . . . . 0.0 112.923 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 74.2 mt -138.46 164.45 40.05 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 126.957 2.103 . . . . 0.0 110.582 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -61.05 -15.24 38.01 Favored 'Trans proline' 0 CA--C 1.545 1.052 0 C-N-CA 122.971 2.447 . . . . 0.0 113.791 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -73.15 -2.28 20.91 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.853 1.661 . . . . 0.0 112.892 174.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.6 t70 56.04 51.99 6.75 Favored Pre-proline 0 CA--C 1.557 1.237 0 C-N-CA 127.411 2.285 . . . . 0.0 115.117 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.75 -30.78 17.18 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 123.373 2.716 . . . . 0.0 115.139 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 44.25 37.73 2.08 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.444 1.897 . . . . 0.0 114.841 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 . . . . . 0 N--CA 1.471 0.622 0 C-N-CA 125.395 1.478 . . . . 0.0 113.482 -178.183 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.72 -34.01 1.02 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 127.041 2.258 . . . . 0.0 111.669 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -66.15 -18.38 65.31 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.732 -0.864 . . . . 0.0 110.054 169.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 84.5 m -62.89 -24.73 67.96 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.959 1.703 . . . . 0.0 112.947 175.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.1 m -113.31 139.86 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.469 1.107 . . . . 0.0 111.827 -174.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -65.45 -38.56 90.19 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.841 -1.162 . . . . 0.0 111.113 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -136.41 143.72 44.1 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.583 1.953 . . . . 0.0 109.373 175.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -81.66 125.42 30.55 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.059 0.943 . . . . 0.0 109.416 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 45.6 59.75 14.44 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.853 1.261 . . . . 0.0 113.077 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -62.47 146.08 95.57 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.2 2.6 . . . . 0.0 111.361 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -76.37 145.64 39.3 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.583 -1.323 . . . . 0.0 109.13 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 -120.87 29.22 7.49 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.99 37.89 72.89 Favored Glycine 0 CA--C 1.536 1.39 0 O-C-N 121.973 -0.454 . . . . 0.0 112.907 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 79.72 9.4 1.51 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 128.396 2.678 . . . . 0.0 114.731 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.437 HG22 HD13 ' A' ' 18' ' ' LEU . 95.2 m -72.22 118.2 14.81 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.214 -1.554 . . . . 0.0 111.375 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.3 m -122.2 109.45 14.5 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.459 1.103 . . . . 0.0 110.552 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.437 HD13 HG22 ' A' ' 16' ' ' THR . 6.8 mp -121.27 149.39 42.95 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.855 1.662 . . . . 0.0 114.093 -174.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.88 1.98 40.49 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.472 2.309 . . . . 0.0 112.824 176.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -141.34 157.5 45.11 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.491 1.516 . . . . 0.0 112.801 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.76 -177.57 33.08 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.116 1.341 . . . . 0.0 116.004 175.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.7 m -147.84 121.79 9.4 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 128.297 2.639 . . . . 0.0 108.57 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -75.06 77.07 2.24 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.5 mt -51.72 -31.16 25.12 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.8 mt -68.43 -17.85 64.3 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.528 1.131 . . . . 0.0 113.393 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -104.24 -33.01 8.84 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.484 1.114 . . . . 0.0 110.135 174.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -66.53 111.48 3.62 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.64 -0.662 . . . . 0.0 110.67 176.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 p -93.64 7.21 45.61 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.699 1.2 . . . . 0.0 112.835 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.41 148.01 23.29 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.468 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.9 t -53.51 166.24 0.31 Allowed 'General case' 0 C--O 1.239 0.515 0 C-N-CA 125.23 1.412 . . . . 0.0 113.979 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.433 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.61 -11.88 6.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.498 1.119 . . . . 0.0 112.702 172.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 36.1 t -72.12 -35.11 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 120.056 1.298 . . . . 0.0 109.025 171.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.7 p -130.74 -15.67 3.44 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t 80.85 21.17 0.42 Allowed 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -91.84 144.27 25.66 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.201 -1.562 . . . . 0.0 113.394 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.8 ttt-85 -120.27 162.57 19.19 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.585 1.554 . . . . 0.0 109.437 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.285 3.4 p30 54.52 20.6 2.91 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 126.168 1.787 . . . . 0.0 114.905 -174.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -119.21 100.78 7.54 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 128.771 2.828 . . . . 0.0 110.462 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.6 ptp -164.69 148.23 8.96 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.22 166.73 19.68 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 131.332 3.853 . . . . 0.0 109.763 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 88.4 mt -127.9 134.9 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.867 1.667 . . . . 0.0 106.539 173.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.448 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -148.72 177.59 9.38 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.655 0.782 . . . . 0.0 111.22 178.119 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.0 t30 58.24 17.78 4.9 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.777 1.231 . . . . 0.0 113.621 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -58.08 111.83 1.32 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 127.224 2.21 . . . . 0.0 112.626 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.5 m -107.47 155.38 20.12 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 125.625 1.57 . . . . 0.0 111.931 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -139.35 137.74 36.03 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.546 1.538 . . . . 0.0 110.149 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -131.99 146.66 52.22 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.482 1.913 . . . . 0.0 111.049 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.81 116.34 11.31 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.74 0.305 . . . . 0.0 110.796 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -118.84 121.42 39.97 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.964 1.306 . . . . 0.0 113.023 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.5 t70 44.98 20.53 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.304 0 N-CA-C 118.432 2.753 . . . . 0.0 118.432 171.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.52 -21.11 9.3 Favored Glycine 0 N--CA 1.477 1.398 0 C-N-CA 126.381 1.943 . . . . 0.0 113.428 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -74.73 137.71 42.25 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.257 1.423 . . . . 0.0 108.987 174.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -117.99 129.9 55.87 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.441 1.496 . . . . 0.0 108.785 176.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.403 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.87 139.21 51.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 123.848 0.859 . . . . 0.0 109.474 -178.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.2 t -132.39 118.17 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 124.913 1.285 . . . . 0.0 109.036 177.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.4 p -122.02 135.1 54.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.529 0.732 . . . . 0.0 112.041 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -153.19 -168.84 3.14 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.104 -0.997 . . . . 0.0 113.507 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -141.75 158.35 43.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.709 1.204 . . . . 0.0 109.353 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -109.91 137.86 47.11 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 105.987 -1.856 . . . . 0.0 105.987 172.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.448 ' CD1' HG22 ' A' ' 42' ' ' THR . 6.1 mp -131.93 132.04 43.2 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.767 1.227 . . . . 0.0 110.603 -174.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.7 t -59.31 125.44 23.65 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.382 1.073 . . . . 0.0 111.036 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -63.47 -13.07 36.85 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.215 -1.553 . . . . 0.0 111.891 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -95.58 -66.36 0.91 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.291 1.036 . . . . 0.0 111.682 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.8 p -94.09 -6.24 45.52 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 -178.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.305 66.2 m80 52.46 20.96 1.6 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.487 1.915 . . . . 0.0 114.974 -176.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.93 146.48 53.56 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.043 1.337 . . . . 0.0 107.502 169.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.8 t -75.41 105.16 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 O-C-N 121.712 -0.618 . . . . 0.0 109.788 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.8 mt -60.08 -44.38 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 125.802 1.641 . . . . 0.0 110.671 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -164.91 163.17 21.01 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.844 1.258 . . . . 0.0 111.999 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -109.96 142.11 41.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.105 1.362 . . . . 0.0 108.843 172.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -122.24 138.55 54.45 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.02 1.728 . . . . 0.0 111.675 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -139.51 130.36 26.14 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.456 1.103 . . . . 0.0 108.939 175.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -129.44 126.84 39.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 173.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.403 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -129.26 135.77 49.21 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -128.7 127.18 41.6 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.093 0.957 . . . . 0.0 110.003 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.32 142.98 50.97 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.428 1.891 . . . . 0.0 113.615 -176.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.11 121.95 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 O-C-N 121.068 -1.02 . . . . 0.0 109.855 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.45 115.78 24.77 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.754 1.222 . . . . 0.0 113.883 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 50.77 -69.58 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.471 2.708 . . . . 0.0 117.469 176.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -135.36 6.47 3.29 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.895 2.078 . . . . 0.0 111.986 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.29 170.23 15.34 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 121.007 -1.058 . . . . 0.0 109.724 -175.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -122.39 143.49 49.63 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.968 1.307 . . . . 0.0 109.365 175.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -121.58 130.42 53.5 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 126.785 2.034 . . . . 0.0 109.612 -178.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -121.87 130.09 53.1 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 125.094 1.358 . . . . 0.0 109.177 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.92 143.27 36.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 122.223 1.011 . . . . 0.0 109.579 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.7 ttp -138.95 144.91 39.22 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.766 1.626 . . . . 0.0 109.237 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 tp -151.76 105.41 3.12 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.102 1.761 . . . . 0.0 110.025 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.7 t -141.6 136.15 30.74 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.267 1.827 . . . . 0.0 109.758 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.9 tp -59.8 -34.19 72.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.017 0.927 . . . . 0.0 111.802 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.1 tp -94.99 -63.99 1.11 Allowed 'General case' 0 C--O 1.231 0.129 0 C-N-CA 125.134 1.373 . . . . 0.0 111.128 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.7 m -64.5 -37.63 88.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.028 0.931 . . . . 0.0 113.396 -173.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.08 175.22 14.0 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 117.61 1.804 . . . . 0.0 117.61 173.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -111.62 120.92 43.7 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 125.127 1.371 . . . . 0.0 110.093 174.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.75 157.17 44.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.436 1.095 . . . . 0.0 113.92 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -151.83 137.71 18.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.963 0.905 . . . . 0.0 110.838 174.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -141.87 152.46 43.63 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.143 1.777 . . . . 0.0 111.615 178.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.87 133.47 37.79 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 121.799 -0.563 . . . . 0.0 110.533 174.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.3 mt -122.22 125.83 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.117 1.367 . . . . 0.0 110.739 -177.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.2 p -81.25 136.3 35.8 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.437 -0.789 . . . . 0.0 109.703 174.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -133.66 178.13 6.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.806 1.243 . . . . 0.0 112.935 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 65.0 mt -139.65 163.25 46.29 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 126.907 2.083 . . . . 0.0 110.257 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -61.25 -17.46 52.91 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 123.022 2.482 . . . . 0.0 113.571 177.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -74.07 -2.86 26.2 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.718 1.607 . . . . 0.0 112.936 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.2 t0 52.64 56.98 15.23 Favored Pre-proline 0 CA--C 1.554 1.105 0 C-N-CA 127.22 2.208 . . . . 0.0 114.909 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.85 -25.57 28.04 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.014 2.476 . . . . 0.0 112.397 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 42.18 34.19 0.46 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 128.813 2.845 . . . . 0.0 116.36 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 . . . . . 0 N--CA 1.473 0.682 0 C-N-CA 126.026 1.73 . . . . 0.0 113.716 -177.807 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.78 -33.94 1.03 Allowed Glycine 0 CA--C 1.533 1.169 0 C-N-CA 126.851 2.167 . . . . 0.0 111.792 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -66.54 -18.02 65.13 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 117.993 0.896 . . . . 0.0 110.088 169.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.97 -27.43 68.85 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.971 1.708 . . . . 0.0 112.767 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.1 m -110.66 139.27 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.584 1.154 . . . . 0.0 111.686 -175.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -64.5 -40.47 95.71 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.686 1.194 . . . . 0.0 110.617 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -134.27 141.96 47.15 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.97 2.108 . . . . 0.0 109.335 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -81.73 123.68 28.96 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.592 0.757 . . . . 0.0 109.09 174.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 47.1 60.13 15.5 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.72 1.208 . . . . 0.0 113.103 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -62.97 145.04 94.19 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.115 2.543 . . . . 0.0 111.577 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -77.68 143.91 37.76 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.589 -1.319 . . . . 0.0 109.481 175.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -119.04 30.92 6.9 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -175.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.83 37.42 69.54 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 123.474 0.559 . . . . 0.0 113.025 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.34 6.82 0.74 Allowed 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 128.774 2.829 . . . . 0.0 114.743 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.413 HG22 HD13 ' A' ' 18' ' ' LEU . 95.7 m -70.6 117.72 12.5 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.332 -1.48 . . . . 0.0 111.44 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.6 m -121.76 109.08 14.27 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.643 1.177 . . . . 0.0 110.247 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.413 HD13 HG22 ' A' ' 16' ' ' THR . 6.0 mp -118.65 146.36 44.74 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.108 1.763 . . . . 0.0 113.584 -175.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.27 -4.37 42.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.646 1.978 . . . . 0.0 113.032 176.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -144.61 157.41 44.22 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.07 -171.64 19.94 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.766 1.65 . . . . 0.0 115.015 176.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.1 m -148.49 120.98 8.5 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.7 2.4 . . . . 0.0 108.238 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -75.26 77.92 2.37 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -174.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.5 mt -51.66 -29.33 17.51 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -177.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.35 -19.31 63.06 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -102.66 -33.74 9.33 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.491 1.116 . . . . 0.0 109.559 175.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -66.0 109.32 2.51 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.657 0.662 . . . . 0.0 110.084 175.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -90.44 6.9 41.41 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.317 1.047 . . . . 0.0 112.135 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.05 151.3 27.8 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.485 1.516 . . . . 0.0 109.584 -175.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.9 t -53.47 169.55 0.13 Allowed 'General case' 0 C--O 1.239 0.519 0 C-N-CA 125.87 1.668 . . . . 0.0 114.213 -177.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.431 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.09 -11.68 5.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.375 171.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.3 t -73.6 -35.55 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 119.74 1.155 . . . . 0.0 109.136 171.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.0 p -131.41 -16.79 3.03 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 116.245 1.942 . . . . 0.0 116.245 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t 80.8 15.42 0.65 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -82.26 149.25 27.93 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.034 -1.666 . . . . 0.0 112.908 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -124.27 160.65 27.51 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 125.648 1.579 . . . . 0.0 110.165 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.1 27.14 4.3 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.298 1.839 . . . . 0.0 114.908 -175.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.82 99.56 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 128.782 2.833 . . . . 0.0 111.14 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.73 150.03 18.83 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 177.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.48 166.47 17.88 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 131.106 3.762 . . . . 0.0 109.572 178.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.6 mt -127.66 133.37 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 126.206 1.802 . . . . 0.0 107.031 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.453 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -146.57 172.41 13.62 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.671 0.788 . . . . 0.0 111.705 178.731 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.266 0.0 OUTLIER 56.97 12.0 1.1 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.443 2.297 . . . . 0.0 115.213 179.435 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -51.91 112.39 0.77 Allowed 'General case' 0 C--O 1.234 0.261 0 C-N-CA 127.79 2.436 . . . . 0.0 113.706 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.4 m -107.54 156.18 19.28 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.392 1.477 . . . . 0.0 112.5 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -139.66 137.77 35.52 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.908 1.683 . . . . 0.0 109.517 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -132.07 146.66 52.2 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 126.384 1.874 . . . . 0.0 111.114 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -138.78 116.27 11.27 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.851 0.358 . . . . 0.0 110.792 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -118.9 121.5 40.12 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.163 1.385 . . . . 0.0 113.134 175.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 44.9 20.83 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 118.442 2.756 . . . . 0.0 118.442 172.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.05 -20.99 9.63 Favored Glycine 0 N--CA 1.477 1.392 0 C-N-CA 126.329 1.918 . . . . 0.0 113.381 -177.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -74.68 137.53 42.21 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.273 1.429 . . . . 0.0 109.0 174.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -118.06 129.76 55.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.714 1.606 . . . . 0.0 108.841 176.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.83 139.37 50.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 123.869 0.868 . . . . 0.0 109.312 -178.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.3 t -132.51 118.13 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.649 1.18 . . . . 0.0 108.682 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.0 p -122.04 134.25 54.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.742 0.817 . . . . 0.0 111.708 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -154.16 -170.83 3.67 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.177 -0.952 . . . . 0.0 113.265 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.61 158.19 44.15 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.918 1.287 . . . . 0.0 108.718 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -112.23 140.43 46.94 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.157 1.383 . . . . 0.0 108.059 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.453 HD11 HG22 ' A' ' 42' ' ' THR . 6.3 mp -132.18 133.81 44.64 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.698 1.199 . . . . 0.0 110.889 -176.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.0 t -59.07 123.3 16.16 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.401 1.08 . . . . 0.0 110.611 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -63.08 -12.6 28.02 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 120.097 -1.627 . . . . 0.0 111.769 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -95.5 -67.98 0.82 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.503 1.121 . . . . 0.0 111.685 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.51 -6.17 50.28 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.29 70.7 m80 53.37 20.73 2.07 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.45 1.9 . . . . 0.0 115.067 -177.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.91 146.62 52.65 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.041 1.336 . . . . 0.0 107.676 169.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.7 t -75.65 105.1 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 121.617 -0.677 . . . . 0.0 110.038 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.9 mt -61.82 -45.82 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.485 1.514 . . . . 0.0 111.166 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.4 168.55 20.19 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.497 1.119 . . . . 0.0 112.636 -175.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.62 140.4 49.44 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.038 1.735 . . . . 0.0 109.157 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.72 139.32 54.11 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.077 1.751 . . . . 0.0 112.757 -177.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -140.09 131.81 27.37 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.637 1.175 . . . . 0.0 108.836 174.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -131.24 126.5 35.64 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.74 135.84 49.75 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -129.41 126.53 39.01 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.992 0.917 . . . . 0.0 110.076 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.6 142.89 51.24 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.494 1.917 . . . . 0.0 113.522 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.11 121.93 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 120.982 -1.074 . . . . 0.0 109.674 174.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.9 ptp -119.34 115.77 24.82 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.679 1.192 . . . . 0.0 113.596 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 50.25 -72.79 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.213 2.605 . . . . 0.0 116.891 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -132.36 7.69 4.24 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.061 2.144 . . . . 0.0 112.173 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -133.26 170.44 15.44 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.591 -1.318 . . . . 0.0 109.684 -176.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -122.08 143.54 49.46 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.358 1.463 . . . . 0.0 109.247 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -121.98 130.17 53.08 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 126.781 2.033 . . . . 0.0 109.636 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -122.08 130.18 53.04 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 125.002 1.321 . . . . 0.0 109.299 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.89 142.69 36.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.1 0.952 . . . . 0.0 109.385 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.4 ttp -139.09 145.27 39.3 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 125.792 1.637 . . . . 0.0 109.321 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.76 105.42 3.12 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.23 1.812 . . . . 0.0 110.311 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.6 t -142.47 136.93 29.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.16 1.784 . . . . 0.0 110.137 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.1 tp -59.03 -34.12 71.54 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.275 1.03 . . . . 0.0 111.805 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.7 tp -96.64 -63.23 1.16 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 125.159 1.383 . . . . 0.0 111.25 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 69.8 m -64.45 -37.32 87.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -173.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.93 174.94 13.9 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 172.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.43 117.74 32.57 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.148 1.379 . . . . 0.0 110.35 174.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.67 157.21 44.57 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -150.38 137.76 19.63 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.325 1.05 . . . . 0.0 110.906 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -141.76 152.48 43.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.418 1.887 . . . . 0.0 111.911 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -136.5 133.39 36.46 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.486 -0.758 . . . . 0.0 110.577 174.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.2 mt -122.22 126.8 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.297 1.439 . . . . 0.0 110.769 -177.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.1 p -82.16 136.68 35.1 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.322 -0.861 . . . . 0.0 109.691 174.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -134.2 177.12 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 124.721 1.209 . . . . 0.0 112.675 -177.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 60.6 mt -141.54 162.96 44.22 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 126.773 2.029 . . . . 0.0 110.244 -177.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -61.64 -16.49 48.61 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 123.048 2.499 . . . . 0.0 113.467 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.35 -1.53 21.29 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.931 1.693 . . . . 0.0 113.02 174.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 26.1 t0 54.09 60.18 11.25 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 127.365 2.266 . . . . 0.0 114.938 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -70.84 -23.77 25.49 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.388 2.725 . . . . 0.0 113.81 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER 43.31 26.35 0.09 Allowed 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 128.461 2.705 . . . . 0.0 117.527 178.577 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 . . . . . 0 N--CA 1.473 0.701 0 C-N-CA 125.191 1.396 . . . . 0.0 113.621 -177.731 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.98 -35.17 1.05 Allowed Glycine 0 CA--C 1.531 1.072 0 C-N-CA 126.896 2.189 . . . . 0.0 111.401 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -66.24 -17.53 64.8 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.828 -0.807 . . . . 0.0 109.936 169.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.467 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 78.6 m -62.6 -26.95 68.87 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.962 1.705 . . . . 0.0 112.69 174.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 m -110.96 140.51 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 121.177 -0.952 . . . . 0.0 112.217 -174.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -65.31 -41.55 93.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.798 1.239 . . . . 0.0 110.368 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -132.79 140.97 48.25 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.953 2.101 . . . . 0.0 109.248 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -81.7 123.52 28.8 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.65 0.78 . . . . 0.0 109.043 175.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 46.88 60.24 15.2 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 124.808 1.243 . . . . 0.0 113.139 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -62.77 146.69 95.16 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.249 2.633 . . . . 0.0 111.389 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -77.91 145.7 36.01 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.242 -1.537 . . . . 0.0 109.394 175.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -119.21 28.46 8.22 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -174.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.04 44.15 96.47 Favored Glycine 0 CA--C 1.534 1.257 0 O-C-N 121.934 -0.479 . . . . 0.0 112.051 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 m120 67.88 23.68 8.31 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 126.59 1.956 . . . . 0.0 114.452 -179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.432 HG22 HD13 ' A' ' 18' ' ' LEU . 91.6 m -88.5 120.21 29.67 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 120.552 -1.343 . . . . 0.0 110.943 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.3 m -121.89 110.04 15.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.472 1.109 . . . . 0.0 110.589 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.432 HD13 HG22 ' A' ' 16' ' ' THR . 6.0 mp -119.19 145.5 45.97 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.343 1.857 . . . . 0.0 113.577 -175.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.05 -4.44 49.46 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.511 1.924 . . . . 0.0 113.255 176.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -148.24 153.28 38.51 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.231 1.013 . . . . 0.0 112.823 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.83 -175.8 15.97 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.661 1.6 . . . . 0.0 114.42 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.1 m -151.14 118.82 6.11 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.58 2.352 . . . . 0.0 108.307 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -75.73 77.13 2.69 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -174.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.0 mt -52.73 -25.41 11.02 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.4 mt -75.12 -17.39 60.43 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.623 1.169 . . . . 0.0 113.063 176.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -104.47 -32.59 8.93 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.041 1.337 . . . . 0.0 110.013 175.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -65.73 105.1 1.18 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.84 0.745 . . . . 0.0 111.394 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.7 p -81.06 -4.83 56.56 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 121.072 -1.018 . . . . 0.0 112.851 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.03 148.94 20.84 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 125.914 1.721 . . . . 0.0 109.223 -175.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.467 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 8.3 t -53.28 165.55 0.34 Allowed 'General case' 0 C--O 1.239 0.539 0 C-N-CA 125.255 1.422 . . . . 0.0 114.099 -177.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -124.89 -11.24 7.17 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.337 1.055 . . . . 0.0 112.324 172.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.56 -34.94 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 119.742 1.155 . . . . 0.0 109.001 171.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 p -132.09 -14.94 3.0 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.39 23.38 0.29 Allowed 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -95.31 138.74 32.59 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 119.709 -1.869 . . . . 0.0 113.92 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -113.16 161.59 16.96 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.083 1.753 . . . . 0.0 109.592 174.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.264 4.1 p30 51.76 26.48 3.52 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.48 1.912 . . . . 0.0 115.038 -176.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -123.05 98.82 6.07 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 128.72 2.808 . . . . 0.0 111.093 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.14 149.81 16.17 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 176.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.37 165.93 18.82 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 131.101 3.76 . . . . 0.0 109.044 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.1 mt -127.52 134.38 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -149.13 177.43 9.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.689 0.796 . . . . 0.0 111.231 178.219 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.4 t30 57.91 18.18 4.83 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 124.836 1.255 . . . . 0.0 113.713 174.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -57.71 113.9 2.04 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.115 2.166 . . . . 0.0 112.508 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.9 m -107.54 156.09 19.39 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 125.802 1.641 . . . . 0.0 111.663 176.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -139.97 137.73 34.96 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.517 1.527 . . . . 0.0 109.852 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -132.07 146.64 52.19 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.288 1.835 . . . . 0.0 111.41 -178.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -139.3 116.42 11.06 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 117.912 0.324 . . . . 0.0 111.77 177.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.91 121.43 39.95 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.155 1.382 . . . . 0.0 113.364 173.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 45.18 20.78 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 118.439 2.755 . . . . 0.0 118.439 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.41 -20.93 9.43 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 126.133 1.825 . . . . 0.0 113.181 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -74.08 137.21 43.17 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.919 1.287 . . . . 0.0 108.876 174.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -118.04 129.86 55.82 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 125.427 1.491 . . . . 0.0 108.683 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.13 138.53 52.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 123.979 0.911 . . . . 0.0 109.499 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.45 118.1 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 124.716 1.207 . . . . 0.0 108.964 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -121.99 135.26 54.83 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.656 0.782 . . . . 0.0 111.641 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -153.31 -168.81 3.12 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.991 -1.068 . . . . 0.0 113.037 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -141.74 158.29 43.99 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.534 1.134 . . . . 0.0 110.073 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -108.21 139.21 43.22 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 172.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.46 ' CD1' HG22 ' A' ' 42' ' ' THR . 5.8 mp -132.82 131.63 41.26 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 124.689 1.196 . . . . 0.0 110.28 -175.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.09 123.69 16.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.122 . . . . 0.0 111.245 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -62.6 -13.81 35.72 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 120.158 -1.589 . . . . 0.0 111.72 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -95.22 -66.48 0.91 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.403 1.081 . . . . 0.0 111.859 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.1 p -94.66 -5.58 45.28 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.312 69.5 m80 52.69 21.17 1.78 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.271 1.828 . . . . 0.0 115.067 -177.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.58 147.1 52.43 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 169.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.3 t -74.94 103.77 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.589 -0.695 . . . . 0.0 109.727 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.4 mt -60.68 -45.62 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.542 1.537 . . . . 0.0 110.997 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.49 164.46 24.39 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.758 1.223 . . . . 0.0 111.787 -176.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.3 142.15 45.15 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.312 1.445 . . . . 0.0 108.521 174.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -123.46 138.52 54.57 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.833 1.653 . . . . 0.0 111.677 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -138.86 131.51 28.99 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 124.496 1.118 . . . . 0.0 108.851 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -130.36 126.57 37.45 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 173.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.16 135.79 49.32 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -129.15 126.3 38.96 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.057 0.943 . . . . 0.0 110.002 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.38 142.89 51.31 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.626 1.971 . . . . 0.0 113.691 -176.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.24 121.92 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.117 -0.99 . . . . 0.0 109.822 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.43 115.74 24.71 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.652 1.181 . . . . 0.0 113.432 177.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 50.51 -74.18 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 128.169 2.587 . . . . 0.0 116.654 177.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -131.76 8.11 4.48 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.881 2.072 . . . . 0.0 112.199 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.9 170.34 15.02 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 120.61 -1.306 . . . . 0.0 109.524 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -123.17 143.6 49.9 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.09 1.356 . . . . 0.0 109.161 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -121.98 129.93 52.89 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 126.722 2.009 . . . . 0.0 109.759 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -121.54 130.03 53.27 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 125.019 1.328 . . . . 0.0 109.205 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.97 143.02 36.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.311 1.053 . . . . 0.0 109.391 177.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.1 ttp -138.82 144.55 39.36 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 125.769 1.628 . . . . 0.0 109.151 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.28 105.91 3.25 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.217 1.807 . . . . 0.0 110.119 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 37.7 t -141.87 136.36 30.45 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.284 1.834 . . . . 0.0 109.687 178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.92 -33.99 72.62 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.135 0.974 . . . . 0.0 111.855 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.4 tp -95.5 -63.41 1.16 Allowed 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.858 1.263 . . . . 0.0 111.226 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.1 m -64.67 -38.3 90.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -173.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.09 175.09 13.92 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 117.869 1.908 . . . . 0.0 117.869 173.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -113.82 117.82 32.53 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.316 1.447 . . . . 0.0 110.432 175.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.71 157.17 44.59 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.517 1.127 . . . . 0.0 113.668 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -150.26 137.71 19.73 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.392 1.077 . . . . 0.0 110.982 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -141.85 152.46 43.66 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.331 1.853 . . . . 0.0 111.67 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -135.68 135.73 40.32 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.323 -0.861 . . . . 0.0 110.714 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 9.8 mt -122.16 124.89 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.195 1.398 . . . . 0.0 110.497 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 p -83.75 130.88 34.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -132.94 174.54 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-O 122.433 1.111 . . . . 0.0 113.745 -175.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -129.5 161.08 61.07 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 127.56 2.344 . . . . 0.0 108.488 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -61.0 -18.79 59.81 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 122.813 2.342 . . . . 0.0 113.674 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.8 -5.35 47.87 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.612 1.565 . . . . 0.0 113.247 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.4 t0 52.87 78.58 0.39 Allowed Pre-proline 0 CA--C 1.556 1.176 0 C-N-CA 127.762 2.425 . . . . 0.0 114.053 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -72.99 -11.78 25.63 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 124.266 3.31 . . . . 0.0 117.154 -174.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? 43.54 64.34 1.27 Allowed 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.686 1.594 . . . . 0.0 113.343 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 . . . . . 0 N--CA 1.476 0.842 0 C-N-CA 125.333 1.453 . . . . 0.0 113.753 -178.391 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.84 -33.79 1.04 Allowed Glycine 0 CA--C 1.531 1.078 0 C-N-CA 126.864 2.173 . . . . 0.0 111.878 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.51 -19.41 65.91 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 117.905 0.853 . . . . 0.0 109.928 169.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.1 m -61.68 -25.94 67.72 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.161 1.784 . . . . 0.0 113.25 175.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.1 m -111.97 139.06 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.639 1.176 . . . . 0.0 111.636 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.85 -38.56 91.4 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.894 -1.129 . . . . 0.0 111.135 177.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -136.85 144.14 43.45 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.628 1.971 . . . . 0.0 109.435 175.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -81.8 124.97 30.11 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.032 0.933 . . . . 0.0 109.395 175.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 45.67 59.4 14.92 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 124.937 1.295 . . . . 0.0 113.477 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -62.89 144.54 93.53 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.418 2.745 . . . . 0.0 111.668 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -76.26 143.06 41.18 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.916 -1.115 . . . . 0.0 109.15 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.32 30.9 6.87 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -175.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.62 37.06 66.43 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.431 0.538 . . . . 0.0 113.152 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 83.4 7.13 0.71 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.8 2.84 . . . . 0.0 114.749 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.408 HG22 HD13 ' A' ' 18' ' ' LEU . 95.9 m -70.43 116.16 10.45 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 120.22 -1.55 . . . . 0.0 111.495 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.2 m -120.81 109.92 15.73 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.579 1.151 . . . . 0.0 110.257 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.408 HD13 HG22 ' A' ' 16' ' ' THR . 6.1 mp -119.43 145.33 46.35 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.0 1.72 . . . . 0.0 113.491 -175.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.11 -6.29 42.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.295 1.838 . . . . 0.0 112.975 175.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -142.55 156.77 45.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.437 1.095 . . . . 0.0 113.649 -177.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.35 -166.54 13.34 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.513 1.53 . . . . 0.0 115.748 175.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 m -152.06 131.63 13.06 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.564 2.346 . . . . 0.0 108.118 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -87.76 75.87 8.88 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.59 -25.14 16.13 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.7 mt -72.39 -18.12 61.75 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.1 0.864 . . . . 0.0 112.984 175.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -103.27 -33.51 9.13 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.66 1.184 . . . . 0.0 110.056 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -66.05 111.03 3.17 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.483 0.583 . . . . 0.0 110.0 175.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.2 p -90.48 4.38 51.23 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.225 1.01 . . . . 0.0 112.191 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.46 150.87 27.64 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.477 1.513 . . . . 0.0 109.429 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 t -53.43 169.69 0.12 Allowed 'General case' 0 C--O 1.239 0.522 0 C-N-CA 125.542 1.537 . . . . 0.0 114.249 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.17 -11.75 5.81 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.411 171.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -73.67 -35.62 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 119.758 1.163 . . . . 0.0 109.081 171.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.2 p -131.08 -17.25 3.09 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 81.57 14.9 0.55 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -81.74 148.54 28.89 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.019 -1.676 . . . . 0.0 113.16 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -124.03 162.11 24.13 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.734 1.614 . . . . 0.0 109.806 175.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.284 4.0 p30 52.69 26.51 4.49 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.157 1.783 . . . . 0.0 114.964 -175.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -124.19 100.33 6.66 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 128.825 2.85 . . . . 0.0 111.613 -177.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.68 150.22 17.32 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 176.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.31 167.56 16.76 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 131.333 3.853 . . . . 0.0 110.086 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.8 mt -127.85 134.09 66.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 126.503 1.921 . . . . 0.0 107.081 175.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.448 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.64 173.41 12.77 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.663 0.785 . . . . 0.0 111.822 178.295 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.266 0.0 OUTLIER 56.87 12.22 1.12 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.58 2.352 . . . . 0.0 115.223 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -51.51 112.59 0.78 Allowed 'General case' 0 C--O 1.234 0.258 0 C-N-CA 127.729 2.412 . . . . 0.0 114.088 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.3 m -107.58 156.18 19.31 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.584 1.553 . . . . 0.0 112.642 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tt -139.5 137.77 35.79 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.833 1.653 . . . . 0.0 109.43 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -132.04 146.73 52.25 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 126.509 1.924 . . . . 0.0 111.184 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -138.86 116.25 11.2 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.77 0.319 . . . . 0.0 111.04 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -118.79 121.41 39.98 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.069 1.347 . . . . 0.0 113.093 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 45.03 20.31 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.274 0 N-CA-C 118.496 2.776 . . . . 0.0 118.496 171.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.45 -21.16 9.32 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 126.469 1.985 . . . . 0.0 113.357 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -74.53 137.28 42.34 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.313 1.445 . . . . 0.0 108.999 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -118.03 129.83 55.81 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.631 1.572 . . . . 0.0 108.791 176.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.49 139.68 49.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 123.963 0.905 . . . . 0.0 109.306 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.5 t -132.51 118.04 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.527 1.131 . . . . 0.0 108.521 177.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.3 p -122.06 134.25 54.78 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.891 0.876 . . . . 0.0 111.901 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -154.79 -170.59 3.56 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.128 -0.983 . . . . 0.0 113.164 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.7 158.21 44.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.899 1.279 . . . . 0.0 108.816 -178.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -111.88 140.99 46.08 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.165 1.386 . . . . 0.0 107.909 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.448 HD11 HG22 ' A' ' 42' ' ' THR . 6.3 mp -132.63 134.23 44.62 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.518 1.127 . . . . 0.0 110.958 -175.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.5 122.69 14.64 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.449 1.1 . . . . 0.0 110.428 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -62.32 -13.51 29.53 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.158 -1.589 . . . . 0.0 111.786 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -94.71 -68.2 0.81 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.503 1.121 . . . . 0.0 111.661 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.5 p -92.1 -6.27 51.19 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 73.0 m80 53.22 21.59 2.3 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.272 1.829 . . . . 0.0 115.04 -177.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.75 146.74 51.25 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.274 1.43 . . . . 0.0 107.488 169.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.5 t -75.61 105.73 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 121.521 -0.737 . . . . 0.0 109.927 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.12 -45.31 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.341 1.456 . . . . 0.0 111.095 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.53 167.33 21.55 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.562 1.145 . . . . 0.0 112.54 -175.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -114.76 140.75 48.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.756 1.623 . . . . 0.0 108.964 174.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -123.47 138.64 54.54 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 126.077 1.751 . . . . 0.0 112.354 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -139.76 132.03 28.26 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 124.506 1.122 . . . . 0.0 108.648 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -131.32 126.43 35.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 174.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.33 135.81 50.1 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -128.86 126.76 40.47 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.112 0.965 . . . . 0.0 110.014 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.99 142.89 51.11 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.464 1.906 . . . . 0.0 113.617 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -109.8 121.92 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 O-C-N 120.919 -1.113 . . . . 0.0 109.925 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.4 115.81 24.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.881 1.272 . . . . 0.0 114.213 177.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.0 t0 51.28 -68.7 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 128.605 2.762 . . . . 0.0 117.476 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -135.46 6.1 3.24 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.89 2.076 . . . . 0.0 112.055 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.09 171.29 13.81 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 120.697 -1.252 . . . . 0.0 109.837 -175.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -123.21 143.43 50.03 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 125.029 1.332 . . . . 0.0 109.29 176.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -121.18 130.45 53.71 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 126.899 2.08 . . . . 0.0 109.465 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -122.04 130.33 53.19 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 125.091 1.357 . . . . 0.0 109.189 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.9 142.27 36.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 122.039 0.924 . . . . 0.0 109.458 177.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.0 ttp -138.33 144.94 40.6 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 125.833 1.653 . . . . 0.0 109.461 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.91 105.1 3.06 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.056 1.742 . . . . 0.0 110.256 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.4 t -142.08 136.73 30.44 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.367 1.867 . . . . 0.0 110.077 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.9 tp -59.41 -34.13 72.08 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.123 0.969 . . . . 0.0 111.925 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 tp -96.31 -63.32 1.16 Allowed 'General case' 0 C--O 1.232 0.182 0 C-N-CA 125.027 1.331 . . . . 0.0 111.279 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 80.5 m -63.9 -38.26 90.42 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.894 0.878 . . . . 0.0 113.286 -173.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.16 175.63 14.15 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 117.338 1.695 . . . . 0.0 117.338 173.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -112.56 118.28 34.67 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.747 1.619 . . . . 0.0 110.355 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.77 157.24 44.52 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -150.55 137.75 19.41 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.165 0.986 . . . . 0.0 110.826 174.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -141.86 152.47 43.66 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.156 1.782 . . . . 0.0 111.718 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.03 133.25 37.25 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.819 -0.551 . . . . 0.0 110.59 175.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.7 mt -122.25 128.06 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.306 1.442 . . . . 0.0 111.118 -176.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.1 p -86.05 132.18 34.11 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.254 -0.904 . . . . 0.0 110.664 175.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.47 173.63 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.855 1.262 . . . . 0.0 113.227 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.8 mt -142.92 157.49 61.03 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 126.138 1.775 . . . . 0.0 110.568 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -65.47 -15.52 50.04 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.095 2.53 . . . . 0.0 113.124 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -75.7 2.36 12.23 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.341 1.857 . . . . 0.0 113.476 176.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.9 t0 55.18 66.85 3.55 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 126.471 1.908 . . . . 0.0 113.591 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -74.01 -12.2 23.66 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.817 3.011 . . . . 0.0 115.079 -177.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 50.0 42.57 24.81 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 126.315 1.846 . . . . 0.0 113.204 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 . . . . . 0 CA--C 1.539 0.549 0 C-N-CA 128.185 2.594 . . . . 0.0 113.412 -179.21 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.844 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.09 -35.33 1.08 Allowed Glycine 0 CA--C 1.532 1.116 0 C-N-CA 126.793 2.14 . . . . 0.0 111.339 -176.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -66.1 -18.58 65.44 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 117.91 0.855 . . . . 0.0 109.961 169.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 67.2 m -61.24 -27.7 68.64 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.229 1.811 . . . . 0.0 112.736 174.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 m -110.34 140.03 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.202 1.001 . . . . 0.0 111.751 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.71 -40.63 95.68 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.889 1.276 . . . . 0.0 110.415 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -134.72 141.51 46.52 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 127.107 2.163 . . . . 0.0 109.317 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -81.4 124.01 29.05 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.624 0.77 . . . . 0.0 109.117 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 46.77 60.34 14.96 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.746 1.218 . . . . 0.0 113.087 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -63.01 144.01 92.07 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.114 2.543 . . . . 0.0 111.291 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -77.0 143.74 39.18 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.491 -1.381 . . . . 0.0 109.458 175.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -116.12 30.86 7.08 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.97 12.03 10.11 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 126.125 1.822 . . . . 0.0 116.704 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 120.98 -0.31 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.121 1 C-N-CA 132.756 4.422 . . . . 0.0 115.689 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.419 HG22 HD13 ' A' ' 18' ' ' LEU . 91.0 m -68.48 117.01 9.69 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.852 -1.155 . . . . 0.0 112.623 -176.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.2 m -122.81 110.19 15.14 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.989 1.316 . . . . 0.0 110.379 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.419 HD13 HG22 ' A' ' 16' ' ' THR . 6.6 mp -121.75 149.23 43.58 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.945 1.698 . . . . 0.0 113.89 -175.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.23 1.96 39.44 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.261 2.224 . . . . 0.0 112.823 175.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -141.48 158.62 43.62 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.246 1.419 . . . . 0.0 113.152 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.94 -175.1 33.48 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 125.184 1.373 . . . . 0.0 116.051 175.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.6 m -146.2 123.24 11.41 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.98 2.512 . . . . 0.0 108.277 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -76.15 78.32 2.97 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -174.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 mt -53.3 -24.92 12.93 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -178.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.0 mt -74.31 -17.18 60.88 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.795 0.838 . . . . 0.0 112.943 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -105.56 -32.6 8.42 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.048 1.339 . . . . 0.0 110.083 176.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -65.64 104.93 1.11 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.958 0.799 . . . . 0.0 110.895 176.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.9 p -81.26 -5.95 58.34 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.392 -0.818 . . . . 0.0 112.394 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.29 150.08 21.63 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.408 1.956 . . . . 0.0 109.428 -176.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.46 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.7 t -52.42 163.74 0.39 Allowed 'General case' 0 C--O 1.238 0.499 0 C-N-CA 125.01 1.324 . . . . 0.0 114.215 -176.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.461 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -121.62 -10.87 8.73 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.234 1.014 . . . . 0.0 111.941 172.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.5 t -75.12 -35.08 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 119.546 1.066 . . . . 0.0 109.078 172.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.8 p -132.71 -13.03 2.94 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 80.48 18.87 0.56 Allowed 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -92.86 139.5 30.47 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 119.617 -1.927 . . . . 0.0 113.938 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -113.01 161.77 16.65 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 125.709 1.604 . . . . 0.0 110.087 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.261 4.1 p30 51.53 27.53 3.93 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 126.46 1.904 . . . . 0.0 115.296 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -122.51 99.26 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 128.471 2.708 . . . . 0.0 110.898 -178.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.62 150.86 19.75 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 177.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.96 165.94 19.29 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 131.399 3.879 . . . . 0.0 109.043 178.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.9 mt -128.48 134.98 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 125.942 1.697 . . . . 0.0 106.89 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.44 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.38 172.18 14.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.312 0.645 . . . . 0.0 111.771 178.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.279 0.0 OUTLIER 58.34 14.46 2.9 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.447 2.299 . . . . 0.0 115.275 178.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -51.59 112.41 0.75 Allowed 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 126.847 2.059 . . . . 0.0 113.241 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.2 m -107.53 156.09 19.38 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 125.463 1.505 . . . . 0.0 112.097 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.32 137.84 34.45 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.626 1.571 . . . . 0.0 110.069 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -131.67 146.68 52.31 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 126.485 1.914 . . . . 0.0 111.161 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.64 116.35 11.45 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.814 0.34 . . . . 0.0 110.867 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -118.96 121.45 39.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.351 1.46 . . . . 0.0 113.319 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 45.56 20.82 0.06 Allowed 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 118.38 2.733 . . . . 0.0 118.38 172.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.75 -21.11 9.82 Favored Glycine 0 N--CA 1.478 1.455 0 C-N-CA 126.272 1.891 . . . . 0.0 113.23 -177.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -75.12 136.6 41.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.011 1.324 . . . . 0.0 108.858 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -117.95 129.86 55.86 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 125.658 1.583 . . . . 0.0 108.683 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.62 139.49 50.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 123.885 0.874 . . . . 0.0 109.33 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.1 t -132.53 118.15 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 124.763 1.225 . . . . 0.0 108.895 177.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.0 p -121.95 134.76 54.83 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.61 0.764 . . . . 0.0 112.063 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -153.41 -170.58 3.64 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.65 158.17 44.16 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.256 1.423 . . . . 0.0 108.68 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -112.72 141.53 46.4 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.141 1.377 . . . . 0.0 108.156 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.44 ' CD1' HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.7 134.67 45.1 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.696 1.198 . . . . 0.0 110.959 -176.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -59.66 122.26 13.67 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.608 1.163 . . . . 0.0 110.811 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -62.28 -13.22 26.16 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 120.014 -1.679 . . . . 0.0 111.667 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -95.87 -63.27 1.17 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.635 1.174 . . . . 0.0 112.477 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.1 p -99.04 -4.53 32.25 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.771 1.396 . . . . 0.0 114.771 -178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 70.9 m80 53.5 20.34 2.03 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 126.498 1.919 . . . . 0.0 115.237 -177.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.06 147.1 52.83 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 169.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 82.9 t -76.01 104.72 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 121.462 -0.774 . . . . 0.0 109.947 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.7 mt -61.75 -46.36 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.737 1.615 . . . . 0.0 111.417 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.68 168.7 21.22 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.472 1.109 . . . . 0.0 112.631 -175.161 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -117.16 140.15 49.88 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.97 1.708 . . . . 0.0 109.145 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.25 139.11 54.39 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.098 1.759 . . . . 0.0 112.611 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -140.15 130.84 25.75 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.523 1.129 . . . . 0.0 108.873 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -129.86 127.0 39.32 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 173.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.78 135.81 49.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -128.64 127.8 42.9 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.197 0.999 . . . . 0.0 110.005 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.8 142.91 50.83 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.462 1.905 . . . . 0.0 113.577 -176.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -109.92 121.88 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 O-C-N 120.946 -1.096 . . . . 0.0 109.609 174.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.48 115.87 24.93 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.64 1.176 . . . . 0.0 114.097 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.3 t0 51.68 -68.52 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 128.562 2.745 . . . . 0.0 117.388 175.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -135.87 5.81 3.12 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.851 2.06 . . . . 0.0 112.156 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.28 171.05 13.78 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 120.786 -1.196 . . . . 0.0 109.885 -175.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -122.51 143.47 49.69 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.133 1.373 . . . . 0.0 109.009 176.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -122.03 130.05 52.95 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 126.902 2.081 . . . . 0.0 109.63 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -122.3 129.31 52.05 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.939 1.296 . . . . 0.0 109.455 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.84 142.22 36.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 122.218 1.009 . . . . 0.0 109.594 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.2 ttp -137.88 145.76 42.55 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.778 1.631 . . . . 0.0 109.401 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tp -151.8 104.86 3.06 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.388 1.875 . . . . 0.0 110.163 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.8 t -142.19 136.83 30.33 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.293 1.837 . . . . 0.0 110.01 178.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.4 tp -59.1 -34.13 71.65 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.198 0.999 . . . . 0.0 111.824 176.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.2 tp -96.46 -62.77 1.22 Allowed 'General case' 0 C--O 1.232 0.134 0 C-N-CA 125.038 1.335 . . . . 0.0 111.256 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.8 m -64.83 -37.69 88.48 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -173.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.64 174.67 13.8 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 117.642 1.817 . . . . 0.0 117.642 172.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.18 116.59 30.04 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.079 1.351 . . . . 0.0 109.909 174.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.72 157.32 44.48 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -149.44 138.78 21.48 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.26 1.024 . . . . 0.0 111.174 176.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -141.77 152.42 43.75 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.174 1.79 . . . . 0.0 111.733 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.24 134.2 37.84 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.889 -0.507 . . . . 0.0 110.574 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.16 126.22 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.159 1.384 . . . . 0.0 110.618 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 p -83.68 133.03 34.83 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.386 -0.821 . . . . 0.0 109.68 174.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 pp -133.83 178.82 5.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 124.619 1.168 . . . . 0.0 113.616 -175.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 69.9 mt -139.61 162.19 52.55 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 127.355 2.262 . . . . 0.0 109.811 -178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -61.05 -18.3 57.06 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 123.096 2.531 . . . . 0.0 113.879 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -76.25 -0.35 22.01 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.717 1.607 . . . . 0.0 113.149 175.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 34.5 t70 51.05 60.3 14.84 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 127.343 2.257 . . . . 0.0 114.86 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.47 -25.34 35.48 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.027 2.485 . . . . 0.0 112.69 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 40.05 30.83 0.08 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 128.898 2.879 . . . . 0.0 116.732 177.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 128.811 2.844 . . . . 0.0 114.596 179.627 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.869 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.89 -34.63 1.04 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 127.047 2.261 . . . . 0.0 111.541 -177.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -66.05 -18.58 65.44 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.653 -0.91 . . . . 0.0 109.879 169.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 94.8 m -61.66 -26.87 68.28 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.847 1.659 . . . . 0.0 112.728 174.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.7 m -111.99 140.31 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.583 1.153 . . . . 0.0 112.182 -174.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -66.25 -37.73 86.21 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.855 -1.153 . . . . 0.0 111.413 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.58 143.73 41.68 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.541 1.936 . . . . 0.0 108.846 175.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -81.33 125.49 30.43 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.14 0.976 . . . . 0.0 109.452 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 45.67 59.66 14.62 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.946 1.298 . . . . 0.0 113.27 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -63.15 147.0 94.53 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.198 2.598 . . . . 0.0 111.361 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -78.95 144.28 34.96 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.176 -1.577 . . . . 0.0 109.448 175.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -119.64 31.41 6.57 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.89 36.94 68.08 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 123.382 0.515 . . . . 0.0 113.186 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 84.22 7.07 0.59 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 128.82 2.848 . . . . 0.0 114.739 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.411 HG22 HD13 ' A' ' 18' ' ' LEU . 95.7 m -69.49 118.49 12.44 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.296 -1.503 . . . . 0.0 111.584 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.7 m -122.99 109.84 14.62 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.65 1.18 . . . . 0.0 110.319 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD13 HG22 ' A' ' 16' ' ' THR . 5.9 mp -119.22 145.28 46.18 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.312 1.845 . . . . 0.0 113.685 -175.247 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.92 -6.85 38.19 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.816 2.047 . . . . 0.0 113.584 176.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -147.57 149.49 32.68 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.766 1.227 . . . . 0.0 111.705 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.09 -177.09 17.03 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.154 1.359 . . . . 0.0 114.624 177.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.5 m -151.96 116.46 5.06 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.574 2.35 . . . . 0.0 108.287 176.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.01 77.01 2.21 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 -174.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.6 mt -50.75 -31.07 15.63 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -177.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.4 mt -69.55 -20.44 63.68 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 177.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -100.56 -32.81 10.59 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.076 0.95 . . . . 0.0 109.904 174.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -66.07 110.6 3.01 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.252 0.549 . . . . 0.0 110.343 175.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.5 p -91.99 7.19 43.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.551 1.14 . . . . 0.0 112.484 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.66 149.19 24.89 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.919 1.247 . . . . 0.0 110.08 -176.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.465 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.0 t -53.19 167.49 0.18 Allowed 'General case' 0 C--O 1.238 0.481 0 C-N-CA 125.62 1.568 . . . . 0.0 114.218 -177.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.46 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.67 -12.41 6.04 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.269 172.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -72.99 -35.81 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 CA-C-N 119.889 1.222 . . . . 0.0 109.088 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.0 p -130.75 -16.05 3.38 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 81.55 16.11 0.5 Allowed 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -85.23 147.38 26.61 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.104 -1.622 . . . . 0.0 113.26 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -122.44 160.69 25.0 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.517 1.527 . . . . 0.0 110.146 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.273 3.9 p30 52.86 26.23 4.47 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.372 1.869 . . . . 0.0 114.691 -175.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -122.52 98.53 5.96 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 128.758 2.823 . . . . 0.0 111.254 -177.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.64 149.6 16.89 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 176.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.12 165.23 19.94 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 130.936 3.694 . . . . 0.0 109.561 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -125.76 132.2 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 125.645 1.578 . . . . 0.0 106.796 175.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.439 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -146.07 174.74 11.03 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.783 0.833 . . . . 0.0 110.73 177.751 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.3 t30 57.56 18.07 4.36 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 124.543 1.137 . . . . 0.0 113.485 174.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -60.84 109.92 1.19 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 127.542 2.337 . . . . 0.0 111.88 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.7 m -107.49 156.15 19.29 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.502 1.521 . . . . 0.0 112.12 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -138.49 137.81 37.48 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.573 1.549 . . . . 0.0 110.378 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -131.95 146.69 52.25 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 126.498 1.919 . . . . 0.0 111.536 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -138.92 116.31 11.2 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 117.855 0.298 . . . . 0.0 111.801 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.84 121.54 40.26 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.074 1.35 . . . . 0.0 113.185 173.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.7 t70 45.0 20.56 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 118.52 2.785 . . . . 0.0 118.52 172.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.63 -21.23 9.19 Favored Glycine 0 N--CA 1.479 1.504 0 C-N-CA 126.359 1.933 . . . . 0.0 113.07 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -74.23 136.32 42.73 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.989 1.316 . . . . 0.0 108.752 174.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -117.93 129.84 55.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.759 1.624 . . . . 0.0 108.624 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -122.89 138.22 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 124.164 0.986 . . . . 0.0 109.263 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.1 t -132.44 118.18 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.771 1.228 . . . . 0.0 109.069 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.5 p -122.04 132.97 54.78 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.649 0.78 . . . . 0.0 112.07 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -150.98 -168.16 3.03 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -141.71 158.36 43.91 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.895 1.278 . . . . 0.0 109.911 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -108.38 138.68 44.26 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 106.436 -1.691 . . . . 0.0 106.436 172.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.439 ' CD1' HG22 ' A' ' 42' ' ' THR . 5.9 mp -132.76 131.04 40.73 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.698 1.199 . . . . 0.0 110.241 -175.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.1 t -57.64 123.97 17.45 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.536 1.134 . . . . 0.0 111.137 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -62.92 -12.82 27.85 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 120.177 -1.577 . . . . 0.0 111.855 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -96.05 -66.29 0.92 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.388 1.075 . . . . 0.0 111.943 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.6 p -94.44 -5.75 45.56 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.308 64.8 m80 52.83 19.85 1.43 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 126.453 1.901 . . . . 0.0 114.964 -176.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.27 146.53 54.05 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 170.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.7 t -75.07 103.22 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 O-C-N 121.736 -0.602 . . . . 0.0 109.67 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.3 mt -60.08 -45.34 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.504 1.521 . . . . 0.0 110.909 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.96 164.78 23.1 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.704 1.201 . . . . 0.0 112.03 -176.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.01 145.3 37.25 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.372 1.469 . . . . 0.0 108.699 173.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -127.14 138.72 53.22 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.336 1.454 . . . . 0.0 112.073 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -139.55 132.96 30.13 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.573 1.149 . . . . 0.0 108.666 174.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -131.94 126.24 33.58 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 174.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.92 135.78 49.5 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -130.32 127.5 39.59 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.026 0.931 . . . . 0.0 110.349 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -126.2 142.81 51.38 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.861 2.064 . . . . 0.0 113.706 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.4 mt -114.34 121.46 66.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 171.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . 0.386 0.0 OUTLIER -119.96 121.05 38.12 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 174.55 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.5 t0 54.87 -67.93 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 128.719 2.807 . . . . 0.0 116.889 175.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -138.28 4.04 2.41 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.045 1.738 . . . . 0.0 112.652 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.39 173.38 11.14 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.675 1.125 . . . . 0.0 109.698 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -124.41 143.51 50.58 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 125.612 1.565 . . . . 0.0 109.091 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -122.64 130.93 53.53 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 127.798 2.439 . . . . 0.0 110.008 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -122.15 130.7 53.46 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 125.15 1.38 . . . . 0.0 109.09 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.86 143.1 36.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 122.209 1.004 . . . . 0.0 109.47 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 54.8 ttp -138.62 144.5 39.77 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 125.663 1.585 . . . . 0.0 109.017 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.08 105.05 3.19 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.143 1.777 . . . . 0.0 110.008 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.2 t -141.95 137.09 31.01 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 126.245 1.818 . . . . 0.0 109.906 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.09 -33.36 71.99 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.21 1.004 . . . . 0.0 112.04 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.5 tp -96.68 -63.02 1.18 Allowed 'General case' 0 C--O 1.232 0.153 0 C-N-CA 125.242 1.417 . . . . 0.0 111.314 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.4 m -64.47 -39.45 93.84 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.996 0.918 . . . . 0.0 112.883 -173.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.9 175.78 14.17 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 117.692 1.837 . . . . 0.0 117.692 173.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -113.32 117.89 33.07 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.249 1.42 . . . . 0.0 110.294 174.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.73 157.17 44.58 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -178.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -150.68 137.79 19.3 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.425 1.09 . . . . 0.0 111.139 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -141.73 152.51 43.89 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.261 1.825 . . . . 0.0 111.914 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -136.02 134.26 38.32 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.83 -0.544 . . . . 0.0 111.032 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.1 mt -122.21 127.26 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.665 1.586 . . . . 0.0 110.925 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.0 p -83.49 133.88 34.87 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.448 -0.782 . . . . 0.0 109.671 174.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -133.44 -178.28 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.252 1.021 . . . . 0.0 113.118 -176.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 72.5 mt -136.91 164.44 42.3 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 127.487 2.315 . . . . 0.0 109.715 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -60.34 -17.24 45.98 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 122.855 2.37 . . . . 0.0 113.855 177.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.89 -3.51 32.44 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.636 1.574 . . . . 0.0 112.949 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 39.8 t0 51.16 54.62 15.39 Favored Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 127.511 2.324 . . . . 0.0 114.922 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -75.52 -24.01 12.43 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.734 2.956 . . . . 0.0 115.44 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 46.33 35.81 2.97 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.816 2.046 . . . . 0.0 114.926 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 126.398 1.879 . . . . 0.0 113.222 -178.035 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.06 -35.04 1.07 Allowed Glycine 0 CA--C 1.532 1.145 0 C-N-CA 126.83 2.157 . . . . 0.0 111.318 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.0 -19.09 65.74 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.697 -0.884 . . . . 0.0 109.892 169.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 72.0 m -61.07 -27.6 68.47 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.239 1.816 . . . . 0.0 112.74 174.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 m -110.52 139.99 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.492 1.117 . . . . 0.0 111.781 -174.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.21 -40.77 94.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.856 1.263 . . . . 0.0 110.582 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -134.36 142.05 47.08 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 127.139 2.175 . . . . 0.0 109.31 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -81.98 124.17 29.53 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.562 0.745 . . . . 0.0 109.141 175.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 46.5 59.77 15.4 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.839 1.256 . . . . 0.0 113.237 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -63.03 145.95 94.4 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.289 2.659 . . . . 0.0 111.652 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -77.73 143.86 37.69 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 120.57 -1.331 . . . . 0.0 109.438 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -118.75 31.06 6.85 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -176.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.88 37.22 69.14 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 123.433 0.539 . . . . 0.0 113.025 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.51 7.03 0.7 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 128.78 2.832 . . . . 0.0 114.719 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.42 HG22 HD13 ' A' ' 18' ' ' LEU . 96.9 m -70.87 118.49 13.72 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.257 -1.527 . . . . 0.0 111.562 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.6 m -122.08 109.23 14.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.634 1.174 . . . . 0.0 110.266 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.42 HD13 HG22 ' A' ' 16' ' ' THR . 5.9 mp -118.29 145.94 44.69 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.263 1.825 . . . . 0.0 113.527 -175.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.65 -7.71 40.03 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.238 1.815 . . . . 0.0 112.958 176.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -145.25 156.73 44.01 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.38 -168.28 12.97 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.984 1.754 . . . . 0.0 114.791 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.2 m -152.23 119.82 6.06 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.029 2.131 . . . . 0.0 108.134 177.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -74.95 77.79 2.17 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 115.994 1.849 . . . . 0.0 115.994 -174.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.4 mt -51.45 -29.51 16.45 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -177.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.4 mt -70.77 -19.56 62.7 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -101.83 -33.79 9.67 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.448 1.099 . . . . 0.0 109.483 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -65.78 108.99 2.29 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.652 0.66 . . . . 0.0 110.009 175.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.9 p -87.73 1.2 54.45 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.94 0.896 . . . . 0.0 112.19 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.0 150.58 26.45 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.803 1.668 . . . . 0.0 109.467 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.3 t -53.01 167.5 0.16 Allowed 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.386 1.474 . . . . 0.0 114.346 -177.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.456 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -125.45 -11.55 6.82 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.326 1.051 . . . . 0.0 112.163 171.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.5 t -74.47 -35.61 39.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 119.614 1.097 . . . . 0.0 109.022 172.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.6 p -131.74 -15.72 3.04 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 116.418 2.007 . . . . 0.0 116.418 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.08 16.37 0.55 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 116.261 1.948 . . . . 0.0 116.261 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -84.71 147.25 27.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 119.739 -1.851 . . . . 0.0 113.198 179.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -121.83 160.65 24.23 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 125.538 1.535 . . . . 0.0 110.107 175.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.263 4.0 p30 52.14 26.75 4.07 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.357 1.863 . . . . 0.0 115.087 -175.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -121.74 99.31 6.39 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 128.726 2.81 . . . . 0.0 111.199 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.69 150.16 19.03 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 177.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.21 167.38 16.94 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 131.405 3.882 . . . . 0.0 109.712 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.1 mt -128.18 133.93 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.332 1.853 . . . . 0.0 107.083 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.453 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.16 173.58 12.39 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.664 0.785 . . . . 0.0 111.801 178.748 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.267 0.0 OUTLIER 55.98 13.18 1.07 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.432 2.293 . . . . 0.0 115.355 179.438 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -53.75 113.82 1.33 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 128.066 2.546 . . . . 0.0 114.351 -177.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.3 m -107.51 156.19 19.25 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 125.517 1.527 . . . . 0.0 112.68 176.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 tt -138.73 137.82 37.11 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.062 1.745 . . . . 0.0 109.167 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -131.81 146.68 52.27 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 126.095 1.758 . . . . 0.0 111.003 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -138.77 116.15 11.19 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.952 0.406 . . . . 0.0 110.473 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -118.87 121.51 40.15 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.351 1.46 . . . . 0.0 113.388 174.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 46.23 20.83 0.09 Allowed 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 171.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.73 -20.87 9.92 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 126.16 1.838 . . . . 0.0 113.24 -177.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -75.71 137.15 40.44 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.736 1.214 . . . . 0.0 109.024 174.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -117.97 129.77 55.8 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.663 1.585 . . . . 0.0 108.712 176.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -124.84 140.07 49.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 O-C-N 121.42 -0.8 . . . . 0.0 109.439 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.5 t -132.47 118.07 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 124.546 1.138 . . . . 0.0 108.648 177.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -122.08 133.9 54.77 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.843 0.857 . . . . 0.0 111.886 177.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -155.76 -170.33 3.38 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.6 158.25 44.07 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.979 1.312 . . . . 0.0 108.956 -178.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -112.12 140.49 46.77 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.297 1.439 . . . . 0.0 108.084 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 42' ' ' THR . 6.3 mp -132.16 134.44 45.4 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.812 1.245 . . . . 0.0 111.022 -176.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -59.49 122.92 15.23 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.546 1.138 . . . . 0.0 110.711 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -62.67 -13.33 30.89 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.052 -1.655 . . . . 0.0 111.808 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -94.83 -67.46 0.85 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.418 1.087 . . . . 0.0 111.706 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.3 p -93.28 -5.96 48.58 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 72.4 m80 53.38 21.52 2.41 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.361 1.865 . . . . 0.0 115.023 -177.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.42 146.78 51.76 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.965 1.306 . . . . 0.0 107.592 169.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.5 t -75.74 105.47 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 121.598 -0.689 . . . . 0.0 109.929 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.5 mt -62.16 -46.01 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.591 1.556 . . . . 0.0 111.176 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.2 168.53 20.57 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.595 1.158 . . . . 0.0 112.744 -175.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -116.43 140.48 49.3 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.041 1.736 . . . . 0.0 109.147 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -124.32 139.18 54.15 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.007 1.723 . . . . 0.0 112.674 -176.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -139.38 131.96 28.8 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.697 1.199 . . . . 0.0 108.631 174.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -131.23 126.68 36.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 173.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.25 135.78 49.24 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -128.78 127.07 41.26 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.917 0.887 . . . . 0.0 110.179 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.88 142.95 51.13 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.52 1.928 . . . . 0.0 113.658 -176.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.02 122.0 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 O-C-N 121.056 -1.028 . . . . 0.0 109.922 174.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.43 115.83 24.89 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.728 1.211 . . . . 0.0 113.833 177.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 51.21 -68.88 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 128.534 2.734 . . . . 0.0 117.471 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -136.36 5.95 3.0 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.993 2.117 . . . . 0.0 112.11 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.44 170.44 14.68 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 120.879 -1.138 . . . . 0.0 109.613 -175.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -122.96 143.49 49.87 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.8 1.24 . . . . 0.0 109.332 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -121.25 130.6 53.75 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 126.934 2.094 . . . . 0.0 109.504 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -122.23 130.11 52.87 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 125.012 1.325 . . . . 0.0 109.235 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.91 142.71 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 122.173 0.987 . . . . 0.0 109.467 177.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.9 ttp -139.02 145.08 39.21 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 125.788 1.635 . . . . 0.0 109.371 177.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 tp -151.62 105.41 3.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.22 1.808 . . . . 0.0 110.286 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.2 t -142.64 137.13 29.77 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 126.23 1.812 . . . . 0.0 110.099 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.7 tp -59.19 -34.13 71.78 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.244 1.018 . . . . 0.0 111.785 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.2 tp -96.49 -63.33 1.15 Allowed 'General case' 0 C--O 1.232 0.161 0 C-N-CA 124.988 1.315 . . . . 0.0 111.276 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 74.6 m -64.29 -37.42 87.42 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -173.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.15 175.16 13.97 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 117.611 1.804 . . . . 0.0 117.611 172.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -113.77 117.02 30.31 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.288 1.435 . . . . 0.0 110.321 175.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.61 157.26 44.55 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -150.46 137.81 19.57 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.383 1.073 . . . . 0.0 110.974 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -141.79 152.5 43.8 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.189 1.796 . . . . 0.0 111.741 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.97 133.92 38.06 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.852 -0.53 . . . . 0.0 110.762 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.9 mt -122.23 125.96 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.172 1.389 . . . . 0.0 110.731 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.2 p -82.69 133.34 35.16 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.529 -0.732 . . . . 0.0 109.53 174.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.75 177.6 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.533 1.133 . . . . 0.0 113.331 -176.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 68.2 mt -139.63 160.92 59.34 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 126.785 2.034 . . . . 0.0 110.469 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -62.03 -17.17 54.62 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.162 2.575 . . . . 0.0 113.684 177.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -74.31 -2.16 23.9 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 125.636 1.574 . . . . 0.0 113.049 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 49.5 t0 52.79 56.79 14.92 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 127.003 2.121 . . . . 0.0 114.89 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.52 -26.1 14.42 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.921 2.414 . . . . 0.0 112.609 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 39.01 33.54 0.08 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 128.832 2.853 . . . . 0.0 116.444 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 . . . . . 0 N--CA 1.473 0.713 0 C-N-CA 128.47 2.708 . . . . 0.0 114.321 179.735 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.831 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.21 -35.04 1.1 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 126.831 2.158 . . . . 0.0 111.403 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.57 -17.77 65.0 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 117.978 0.889 . . . . 0.0 109.955 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.449 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 66.8 m -61.51 -27.97 68.98 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.053 1.741 . . . . 0.0 112.62 174.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.3 m -110.9 140.22 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.499 1.12 . . . . 0.0 111.578 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.16 -42.23 93.95 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 120.847 -1.158 . . . . 0.0 110.426 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -131.88 142.0 49.55 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.998 1.719 . . . . 0.0 109.69 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.06 124.66 29.38 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.004 0.922 . . . . 0.0 109.273 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 46.64 60.02 15.23 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 124.776 1.23 . . . . 0.0 113.248 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -62.86 145.27 94.59 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.302 2.668 . . . . 0.0 111.512 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -77.29 144.65 37.97 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.577 -1.327 . . . . 0.0 109.408 175.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -116.16 28.87 8.32 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -176.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.48 12.15 12.26 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 126.227 1.87 . . . . 0.0 116.378 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 121.22 -3.53 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.139 1 C-N-CA 132.776 4.43 . . . . 0.0 115.528 178.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.432 HG22 HD13 ' A' ' 18' ' ' LEU . 75.4 m -65.18 117.72 8.18 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.922 -1.111 . . . . 0.0 112.788 -176.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.9 m -123.18 109.59 14.19 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.868 1.267 . . . . 0.0 110.226 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.432 HD13 HG22 ' A' ' 16' ' ' THR . 6.6 mp -121.38 149.55 42.81 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.931 1.692 . . . . 0.0 113.93 -175.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.53 1.93 38.55 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.425 2.29 . . . . 0.0 112.726 175.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -141.38 158.97 43.17 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.349 1.46 . . . . 0.0 113.202 -177.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.88 -176.0 35.84 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.273 1.416 . . . . 0.0 115.987 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.5 m -146.01 122.5 11.04 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.873 2.469 . . . . 0.0 108.425 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -74.94 76.51 2.17 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.2 mt -51.77 -29.48 19.02 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.0 mt -70.19 -20.22 63.13 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.398 1.079 . . . . 0.0 113.229 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -101.68 -32.27 10.4 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.98 0.912 . . . . 0.0 110.35 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -66.17 109.71 2.73 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.141 0.495 . . . . 0.0 109.801 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.1 p -89.2 4.29 49.12 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.314 1.045 . . . . 0.0 112.199 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.12 149.82 26.25 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.526 1.536 . . . . 0.0 109.813 -175.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.449 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.5 t -53.62 167.82 0.21 Allowed 'General case' 0 C--O 1.239 0.509 0 C-N-CA 125.532 1.533 . . . . 0.0 114.218 -177.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.46 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -125.59 -11.56 6.74 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.277 1.031 . . . . 0.0 112.168 172.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.8 t -74.19 -35.39 40.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 119.735 1.152 . . . . 0.0 109.071 171.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 p -131.98 -14.76 3.06 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 116.505 2.039 . . . . 0.0 116.505 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 80.09 17.74 0.68 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -87.97 144.12 26.72 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 119.667 -1.895 . . . . 0.0 113.39 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -118.31 160.78 21.05 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.715 1.606 . . . . 0.0 110.206 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.265 4.0 p30 52.28 26.56 4.1 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.531 1.932 . . . . 0.0 115.023 -176.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -121.75 98.71 6.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 128.565 2.746 . . . . 0.0 111.143 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.75 150.92 19.57 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.45 165.98 18.78 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 131.364 3.866 . . . . 0.0 109.092 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.3 mt -128.58 134.8 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 125.92 1.688 . . . . 0.0 106.876 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.438 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.41 172.41 13.97 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.285 0.634 . . . . 0.0 111.778 178.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER 58.58 14.43 3.06 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.462 2.305 . . . . 0.0 115.151 178.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -51.72 112.06 0.7 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.839 2.055 . . . . 0.0 113.217 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.0 m -107.46 156.04 19.39 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.429 1.492 . . . . 0.0 112.13 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.17 137.85 34.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.679 1.591 . . . . 0.0 110.035 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -131.84 146.65 52.25 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 126.473 1.909 . . . . 0.0 111.029 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -138.5 116.27 11.49 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.865 0.364 . . . . 0.0 110.745 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -118.93 121.4 39.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.349 1.46 . . . . 0.0 113.247 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.2 t70 45.6 20.89 0.07 Allowed 'General case' 0 CA--C 1.559 1.293 0 N-CA-C 118.37 2.73 . . . . 0.0 118.37 172.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.69 -21.06 9.88 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.196 1.855 . . . . 0.0 113.203 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -75.03 136.95 41.2 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.015 1.326 . . . . 0.0 108.951 174.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -118.06 129.78 55.77 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.725 1.61 . . . . 0.0 108.554 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.408 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -124.0 139.33 50.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 123.865 0.866 . . . . 0.0 109.44 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.49 118.18 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 124.844 1.258 . . . . 0.0 108.887 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.0 p -122.08 135.07 54.77 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.505 0.722 . . . . 0.0 112.049 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -153.55 -170.8 3.7 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.67 158.13 44.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.16 1.384 . . . . 0.0 108.68 -178.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -112.78 141.32 46.72 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.082 1.353 . . . . 0.0 108.176 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.438 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.5 134.51 45.1 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.758 1.223 . . . . 0.0 110.896 -175.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.4 t -59.75 122.61 14.61 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.499 1.12 . . . . 0.0 110.738 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -62.23 -13.26 26.15 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 120.055 -1.653 . . . . 0.0 111.685 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -95.53 -65.8 0.95 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.712 1.205 . . . . 0.0 112.082 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.1 p -95.64 -5.25 42.85 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.303 73.0 m80 53.35 20.53 1.99 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.43 1.892 . . . . 0.0 115.226 -177.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.35 146.63 53.08 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 170.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.1 t -75.81 104.87 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 121.556 -0.715 . . . . 0.0 109.858 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.8 mt -61.75 -46.28 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.617 1.567 . . . . 0.0 111.315 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.84 168.59 21.1 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.573 1.149 . . . . 0.0 112.642 -175.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -117.04 140.06 49.94 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.952 1.701 . . . . 0.0 109.194 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.06 139.14 54.39 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.139 1.776 . . . . 0.0 112.614 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -140.17 131.27 26.36 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.552 1.141 . . . . 0.0 108.945 174.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -130.3 126.64 37.7 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 173.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.408 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -129.04 135.86 49.5 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -128.49 127.37 42.31 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.239 1.016 . . . . 0.0 110.021 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.92 142.89 51.13 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.524 1.93 . . . . 0.0 113.588 -176.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.9 mt -109.91 121.99 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 O-C-N 121.047 -1.033 . . . . 0.0 109.843 174.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.0 ptp -119.41 115.72 24.66 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.62 1.168 . . . . 0.0 113.508 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 50.11 -73.17 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 128.206 2.602 . . . . 0.0 116.916 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -131.75 7.23 4.41 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.922 2.089 . . . . 0.0 112.27 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -132.39 170.43 15.11 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 120.771 -1.206 . . . . 0.0 109.766 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -123.0 143.46 49.91 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 125.045 1.338 . . . . 0.0 109.25 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -121.55 131.04 53.91 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 126.9 2.08 . . . . 0.0 109.654 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -122.38 129.96 52.63 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 124.981 1.312 . . . . 0.0 109.079 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.94 142.66 36.39 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.927 0.87 . . . . 0.0 109.065 177.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.0 ttp -137.72 145.92 43.09 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 125.782 1.633 . . . . 0.0 109.362 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.51 105.2 3.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.374 1.87 . . . . 0.0 110.223 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.5 t -142.17 136.58 30.12 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 126.162 1.785 . . . . 0.0 110.035 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 tp -58.86 -34.28 71.42 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.166 0.986 . . . . 0.0 111.781 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.2 tp -96.09 -63.93 1.1 Allowed 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.049 1.34 . . . . 0.0 111.22 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 70.3 m -64.49 -36.5 84.4 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.167 0.987 . . . . 0.0 113.6 -172.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.99 174.0 13.63 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 117.899 1.92 . . . . 0.0 117.899 172.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -113.04 116.23 29.59 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.351 1.46 . . . . 0.0 110.027 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.7 157.3 44.5 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -149.47 138.89 21.52 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.349 1.06 . . . . 0.0 111.156 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -141.74 152.46 43.83 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.037 1.735 . . . . 0.0 111.616 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.32 134.36 37.86 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.733 -0.605 . . . . 0.0 110.579 174.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.1 mt -122.12 126.07 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.174 1.39 . . . . 0.0 110.721 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.469 0.489 0 O-C-N 121.642 -0.661 . . . . 0.0 109.76 174.536 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.83 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.14 -34.9 1.09 Allowed Glycine 0 CA--C 1.532 1.106 0 C-N-CA 126.843 2.163 . . . . 0.0 111.48 -176.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -66.86 -18.02 65.17 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.631 -0.923 . . . . 0.0 109.96 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.454 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 66.7 m -60.81 -28.91 69.14 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.873 1.669 . . . . 0.0 112.448 174.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.3 m -110.1 139.75 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.678 1.191 . . . . 0.0 111.895 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -64.77 -40.76 95.79 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.731 1.212 . . . . 0.0 110.641 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -133.81 141.72 47.56 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.013 2.125 . . . . 0.0 109.276 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -81.8 123.65 28.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.502 0.721 . . . . 0.0 109.116 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 47.17 59.97 15.73 Favored Pre-proline 0 N--CA 1.476 0.864 0 C-N-CA 124.7 1.2 . . . . 0.0 113.173 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -63.07 145.51 94.04 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.146 2.564 . . . . 0.0 111.495 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -77.73 143.7 37.82 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.568 -1.333 . . . . 0.0 109.444 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -115.99 30.86 7.08 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.95 12.33 10.77 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 126.17 1.843 . . . . 0.0 116.578 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 121.94 -3.73 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.092 1 C-N-CA 132.725 4.41 . . . . 0.0 115.614 178.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.419 HG22 HD13 ' A' ' 18' ' ' LEU . 86.5 m -64.75 116.98 6.83 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 120.904 -1.123 . . . . 0.0 112.731 -176.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.0 m -122.89 109.74 14.54 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.859 1.264 . . . . 0.0 110.212 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.419 HD13 HG22 ' A' ' 16' ' ' THR . 6.6 mp -121.26 149.33 43.03 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.989 1.716 . . . . 0.0 113.843 -175.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.17 0.89 38.45 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.313 2.245 . . . . 0.0 112.742 175.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -141.46 159.09 42.94 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.283 1.433 . . . . 0.0 113.205 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.92 -175.03 33.45 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.245 1.402 . . . . 0.0 115.956 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.8 m -146.53 122.28 10.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.844 2.457 . . . . 0.0 108.406 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -75.82 77.47 2.75 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.6 mt -51.5 -29.39 16.47 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 -177.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.1 mt -70.53 -19.99 62.86 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -101.34 -33.72 9.91 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.31 1.044 . . . . 0.0 109.498 174.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -65.63 109.42 2.39 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.653 -0.655 . . . . 0.0 110.097 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.9 p -90.57 6.64 42.85 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.208 1.003 . . . . 0.0 112.218 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.61 150.36 26.62 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.262 1.411 . . . . 0.0 109.798 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.6 t -53.36 168.7 0.14 Allowed 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.619 1.568 . . . . 0.0 114.255 -177.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.459 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.52 -11.63 6.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.227 171.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.3 t -74.14 -35.77 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 119.647 1.112 . . . . 0.0 109.026 171.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.3 p -131.35 -16.44 3.1 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.29 16.42 0.52 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -84.27 146.01 28.0 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 119.719 -1.863 . . . . 0.0 113.15 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -120.77 160.68 22.87 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.684 1.594 . . . . 0.0 110.117 175.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.26 26.66 4.13 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.387 1.875 . . . . 0.0 114.827 -176.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.2 98.91 6.15 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 128.829 2.851 . . . . 0.0 111.33 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.88 150.52 18.99 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 176.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.56 165.77 19.28 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 131.324 3.85 . . . . 0.0 109.322 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.0 mt -127.93 134.4 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.949 1.7 . . . . 0.0 106.879 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.444 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.46 172.77 13.42 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.38 0.672 . . . . 0.0 111.71 178.657 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.278 0.0 OUTLIER 57.92 15.76 3.28 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.305 2.242 . . . . 0.0 114.952 178.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -54.17 113.02 1.09 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.909 2.084 . . . . 0.0 113.643 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.0 m -107.5 156.11 19.33 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.367 1.467 . . . . 0.0 112.325 176.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -138.74 137.75 37.03 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.774 1.63 . . . . 0.0 109.707 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -132.03 146.63 52.19 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.53 1.932 . . . . 0.0 111.18 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -138.66 116.26 11.36 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -118.86 121.38 39.87 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.101 1.36 . . . . 0.0 113.066 175.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 45.05 20.35 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 118.507 2.78 . . . . 0.0 118.507 171.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.37 -21.34 9.31 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.388 1.947 . . . . 0.0 113.293 -176.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -74.53 136.94 42.15 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.19 1.396 . . . . 0.0 109.01 174.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -117.96 129.88 55.87 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.572 1.549 . . . . 0.0 108.771 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.412 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.65 139.71 49.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 123.911 0.884 . . . . 0.0 109.448 -178.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -132.44 118.13 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 124.885 1.274 . . . . 0.0 108.781 177.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.5 p -122.0 134.98 54.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.617 0.767 . . . . 0.0 112.09 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -154.34 -170.4 3.53 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.674 0.991 . . . . 0.0 113.674 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.61 158.22 44.11 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.053 1.341 . . . . 0.0 108.822 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -112.3 141.44 46.02 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.138 1.375 . . . . 0.0 108.165 176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.444 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.79 134.36 44.6 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.755 1.222 . . . . 0.0 111.06 -175.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.1 t -59.54 123.28 16.35 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.5 1.12 . . . . 0.0 110.699 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -62.84 -13.52 34.76 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.079 -1.638 . . . . 0.0 111.725 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -94.92 -67.76 0.84 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.433 1.093 . . . . 0.0 111.69 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.3 p -92.82 -6.04 49.74 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.301 73.3 m80 53.42 20.72 2.1 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.356 1.862 . . . . 0.0 115.166 -177.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.58 146.73 52.81 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.889 1.276 . . . . 0.0 107.604 169.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.4 t -75.7 105.07 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 121.585 -0.697 . . . . 0.0 109.902 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.3 mt -61.9 -45.91 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 125.513 1.525 . . . . 0.0 111.246 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.1 168.36 21.0 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.507 1.123 . . . . 0.0 112.691 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -116.49 140.26 49.56 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.961 1.704 . . . . 0.0 109.116 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.63 138.83 54.47 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.104 1.762 . . . . 0.0 112.651 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -139.81 131.2 26.85 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.528 1.131 . . . . 0.0 108.877 174.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -130.54 126.64 37.3 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 173.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.412 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -128.91 135.86 49.62 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -128.27 127.4 42.73 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.11 0.964 . . . . 0.0 109.811 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.31 142.93 50.99 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.478 1.911 . . . . 0.0 113.52 -176.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.9 mt -109.66 121.92 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 O-C-N 120.969 -1.082 . . . . 0.0 109.794 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.75 24.72 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.749 1.22 . . . . 0.0 114.218 177.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t0 51.6 -68.88 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.494 2.717 . . . . 0.0 117.333 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -135.44 6.0 3.24 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.881 2.072 . . . . 0.0 112.195 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.69 170.86 14.21 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.779 -1.201 . . . . 0.0 109.872 -175.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -122.29 143.48 49.59 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.961 1.304 . . . . 0.0 109.286 175.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -121.79 131.12 53.89 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 126.957 2.103 . . . . 0.0 109.575 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -122.45 130.08 52.7 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.98 1.312 . . . . 0.0 109.043 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.89 142.54 36.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.885 0.85 . . . . 0.0 109.13 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.4 ttp -137.57 145.74 43.22 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 125.863 1.665 . . . . 0.0 109.298 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.5 104.99 3.12 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.388 1.875 . . . . 0.0 110.14 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.3 t -142.33 136.84 30.09 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.178 1.791 . . . . 0.0 110.03 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.7 tp -58.99 -33.92 71.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.221 1.008 . . . . 0.0 111.797 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.0 tp -96.82 -63.29 1.15 Allowed 'General case' 0 C--O 1.233 0.204 0 C-N-CA 125.132 1.373 . . . . 0.0 111.288 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.33 -37.54 87.87 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.89 174.59 13.77 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 117.657 1.823 . . . . 0.0 117.657 172.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -113.24 115.96 29.02 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.272 1.429 . . . . 0.0 109.931 174.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.72 157.28 44.51 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -149.21 139.2 22.05 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.339 1.056 . . . . 0.0 111.062 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -141.7 152.49 43.92 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.076 1.75 . . . . 0.0 111.628 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.63 133.93 36.8 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.701 -0.624 . . . . 0.0 110.658 174.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.4 mt -122.25 126.33 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.225 1.41 . . . . 0.0 110.829 -177.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.4 p . . . . . 0 N--CA 1.47 0.572 0 O-C-N 121.362 -0.837 . . . . 0.0 109.9 174.726 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.81 -33.61 1.03 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 126.943 2.211 . . . . 0.0 111.881 -177.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.58 -18.14 65.2 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 118.069 0.934 . . . . 0.0 110.031 169.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.8 m -61.85 -27.42 68.77 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.837 1.655 . . . . 0.0 112.797 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 m -111.04 138.89 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.716 1.206 . . . . 0.0 111.805 -174.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -64.79 -37.95 89.34 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.998 -1.064 . . . . 0.0 111.268 177.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -137.25 143.96 42.51 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.618 1.967 . . . . 0.0 109.444 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -81.4 125.0 29.88 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.946 0.898 . . . . 0.0 109.379 175.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 45.99 59.65 14.99 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.896 1.279 . . . . 0.0 113.215 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -63.13 144.99 93.46 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.18 2.587 . . . . 0.0 111.549 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -76.96 143.76 39.25 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.471 -1.393 . . . . 0.0 109.462 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.27 31.09 6.78 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -175.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.79 39.6 77.61 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 123.428 0.537 . . . . 0.0 112.876 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 78.84 13.27 1.31 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 128.298 2.639 . . . . 0.0 114.624 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.407 HG22 HD13 ' A' ' 18' ' ' LEU . 97.7 m -76.46 117.98 18.67 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.325 -1.485 . . . . 0.0 111.152 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.1 m -122.26 110.05 15.22 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.7 1.2 . . . . 0.0 110.401 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.407 HD13 HG22 ' A' ' 16' ' ' THR . 5.9 mp -119.0 145.72 45.61 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.384 1.873 . . . . 0.0 113.941 -175.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.29 -3.73 40.03 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.994 2.118 . . . . 0.0 113.453 176.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -145.93 156.04 43.26 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.725 1.21 . . . . 0.0 112.381 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.46 -175.51 18.93 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.26 1.409 . . . . 0.0 115.232 176.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 m -149.08 119.23 7.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.821 2.448 . . . . 0.0 108.261 177.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.1 77.32 2.26 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -174.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 mt -51.2 -29.87 15.41 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.8 mt -70.77 -20.52 62.6 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 177.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -100.03 -33.62 10.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.964 0.905 . . . . 0.0 109.702 174.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -65.78 109.8 2.59 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.235 0.47 . . . . 0.0 110.013 175.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 p -91.12 7.53 40.1 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.317 1.047 . . . . 0.0 112.248 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.14 150.79 27.13 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 125.295 1.426 . . . . 0.0 109.63 -175.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.69 170.13 0.12 Allowed 'General case' 0 C--O 1.238 0.49 0 C-N-CA 125.692 1.597 . . . . 0.0 114.17 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.429 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.62 -11.65 5.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.41 171.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.1 t -73.34 -35.27 45.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 119.731 1.15 . . . . 0.0 108.979 171.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.5 p -131.7 -16.82 2.93 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t 81.75 15.19 0.52 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -83.51 145.28 29.0 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.003 -1.686 . . . . 0.0 113.195 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -119.51 161.04 21.25 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.685 1.594 . . . . 0.0 110.251 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.08 26.52 3.86 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.465 1.906 . . . . 0.0 114.914 -176.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.27 98.83 6.11 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 128.744 2.818 . . . . 0.0 111.228 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.62 150.16 19.14 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.69 165.75 18.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 131.162 3.785 . . . . 0.0 109.495 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.0 mt -127.44 133.58 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.07 1.748 . . . . 0.0 106.918 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.444 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -146.09 170.3 16.95 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.469 0.707 . . . . 0.0 111.304 178.542 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.273 0.0 OUTLIER 58.02 12.43 1.8 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.171 2.189 . . . . 0.0 115.141 179.261 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -51.89 109.6 0.38 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 127.176 2.191 . . . . 0.0 112.649 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.8 m -107.52 156.1 19.36 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.68 1.592 . . . . 0.0 112.397 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 tt -139.0 137.74 36.61 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.578 1.551 . . . . 0.0 110.072 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -131.44 146.62 52.34 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 126.586 1.954 . . . . 0.0 111.18 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.49 116.36 11.57 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.865 0.364 . . . . 0.0 110.774 175.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -118.98 121.41 39.86 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.473 1.509 . . . . 0.0 113.307 174.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.6 t70 45.48 20.99 0.06 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 118.406 2.743 . . . . 0.0 118.406 172.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.47 -21.04 10.07 Favored Glycine 0 N--CA 1.477 1.381 0 C-N-CA 126.338 1.923 . . . . 0.0 113.225 -177.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -75.17 136.64 41.03 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.955 1.302 . . . . 0.0 108.886 174.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -118.06 129.81 55.78 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 125.677 1.591 . . . . 0.0 108.66 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.91 139.95 48.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 123.897 0.879 . . . . 0.0 109.387 -177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.1 t -132.56 118.05 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 124.975 1.31 . . . . 0.0 108.667 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.7 p -121.9 135.18 54.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.485 0.714 . . . . 0.0 111.623 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -153.22 -172.08 4.13 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.76 158.17 44.13 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.901 1.281 . . . . 0.0 108.596 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -113.5 140.52 48.05 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.058 1.343 . . . . 0.0 108.023 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.444 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.39 134.13 44.78 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.678 1.191 . . . . 0.0 111.07 -175.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.3 t -59.57 123.24 16.22 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.436 1.094 . . . . 0.0 110.701 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -62.69 -13.46 32.49 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 120.074 -1.641 . . . . 0.0 111.697 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -94.89 -68.14 0.82 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.442 1.097 . . . . 0.0 111.668 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.44 -6.2 50.42 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.301 73.1 m80 53.56 20.39 2.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.339 1.856 . . . . 0.0 115.126 -177.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.47 146.63 52.99 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.978 1.311 . . . . 0.0 107.558 170.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.6 t -75.73 104.76 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 121.573 -0.704 . . . . 0.0 109.885 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.1 -45.68 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.526 1.531 . . . . 0.0 111.185 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.62 168.15 20.31 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.514 1.126 . . . . 0.0 112.583 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.58 140.28 49.56 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.925 1.69 . . . . 0.0 109.117 174.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.03 139.6 53.9 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.154 1.781 . . . . 0.0 112.721 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -140.2 132.45 28.2 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.548 1.139 . . . . 0.0 108.844 174.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -131.68 126.2 34.0 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 173.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.76 135.85 49.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -128.68 127.63 42.52 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.195 0.998 . . . . 0.0 110.095 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.65 142.88 50.89 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.482 1.913 . . . . 0.0 113.578 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -109.81 121.91 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 O-C-N 121.091 -1.006 . . . . 0.0 109.952 174.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.42 115.71 24.65 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.846 1.258 . . . . 0.0 114.214 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 t0 51.48 -69.16 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 128.499 2.72 . . . . 0.0 117.35 175.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -135.04 6.16 3.35 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.903 2.081 . . . . 0.0 112.169 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.28 171.18 14.03 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.914 -1.116 . . . . 0.0 109.929 -175.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -123.07 143.43 49.97 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.107 1.363 . . . . 0.0 109.219 176.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -121.23 130.0 53.47 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 126.86 2.064 . . . . 0.0 109.518 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -121.94 129.41 52.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 124.89 1.276 . . . . 0.0 109.326 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.93 141.49 36.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 122.094 0.95 . . . . 0.0 109.683 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.0 ttp -137.85 145.25 41.99 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 125.805 1.642 . . . . 0.0 109.388 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.74 105.24 3.11 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.221 1.808 . . . . 0.0 110.357 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.6 t -142.34 136.93 30.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.173 1.789 . . . . 0.0 110.132 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 tp -59.13 -34.36 71.96 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.288 1.035 . . . . 0.0 111.808 176.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.6 tp -96.32 -63.18 1.17 Allowed 'General case' 0 C--O 1.233 0.208 0 C-N-CA 125.055 1.342 . . . . 0.0 111.206 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.2 m -64.56 -37.66 88.34 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 123.887 0.875 . . . . 0.0 113.355 -173.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.32 174.9 13.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 117.652 1.821 . . . . 0.0 117.652 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.47 117.44 31.7 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.151 1.381 . . . . 0.0 110.139 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.61 157.26 44.55 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -150.37 137.76 19.64 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.349 1.059 . . . . 0.0 111.041 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -141.74 152.48 43.85 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.084 1.754 . . . . 0.0 111.77 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.92 132.86 37.02 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.963 -0.461 . . . . 0.0 110.536 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.8 mt -122.25 127.26 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.265 1.426 . . . . 0.0 110.942 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.7 p . . . . . 0 N--CA 1.468 0.465 0 O-C-N 121.31 -0.868 . . . . 0.0 110.017 173.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.62 -34.15 1.0 Allowed Glycine 0 CA--C 1.531 1.08 0 C-N-CA 127.006 2.241 . . . . 0.0 111.648 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -65.61 -18.86 65.64 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.741 -0.858 . . . . 0.0 109.87 169.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.61 -25.22 67.99 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.03 1.732 . . . . 0.0 113.039 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 m -112.28 138.88 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.213 1.005 . . . . 0.0 112.097 -174.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -64.59 -39.33 93.53 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.636 1.174 . . . . 0.0 111.039 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -135.84 143.25 45.02 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.592 1.957 . . . . 0.0 109.534 175.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.45 123.97 29.04 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.907 0.883 . . . . 0.0 109.308 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 47.22 59.96 15.76 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 124.88 1.272 . . . . 0.0 113.379 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -62.53 146.31 95.47 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.52 2.813 . . . . 0.0 111.598 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -78.68 144.93 34.9 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.358 -1.464 . . . . 0.0 109.47 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -117.25 29.46 7.88 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -176.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.81 13.65 13.68 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.952 1.739 . . . . 0.0 116.445 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 119.55 -2.89 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.14 1 C-N-CA 132.494 4.317 . . . . 0.0 115.745 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.4 m -64.49 117.65 7.65 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.961 -1.087 . . . . 0.0 112.844 -176.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 67.5 m -123.6 108.82 13.02 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.906 1.282 . . . . 0.0 110.214 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -120.37 146.47 46.13 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.052 1.741 . . . . 0.0 113.48 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -96.62 -0.18 48.98 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.757 1.223 . . . . 0.0 113.511 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -146.96 156.59 43.18 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.617 1.567 . . . . 0.0 111.803 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.36 -178.72 18.72 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.113 1.339 . . . . 0.0 114.678 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.7 m -150.16 119.33 6.77 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.435 2.294 . . . . 0.0 108.5 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -76.26 77.03 3.05 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 -174.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.9 mt -51.38 -29.63 16.27 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.3 mt -70.51 -20.06 62.86 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.667 1.187 . . . . 0.0 113.39 176.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -101.29 -34.18 9.74 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.111 0.964 . . . . 0.0 109.811 174.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -64.95 110.49 2.47 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.757 -0.589 . . . . 0.0 110.357 176.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.1 p -88.25 0.1 56.51 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.281 1.032 . . . . 0.0 112.245 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.59 150.06 24.85 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.95 1.738 . . . . 0.0 109.531 -175.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.6 t -53.15 167.07 0.19 Allowed 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.437 1.495 . . . . 0.0 114.095 -177.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.438 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -125.71 -10.88 6.73 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.253 1.021 . . . . 0.0 112.242 172.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -74.09 -35.46 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 119.701 1.137 . . . . 0.0 109.04 171.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.7 p -131.74 -14.81 3.14 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t 80.71 17.53 0.57 Allowed 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -87.24 143.88 27.07 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.044 -1.66 . . . . 0.0 113.365 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -117.29 161.09 20.06 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.614 1.566 . . . . 0.0 109.861 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.267 3.8 p30 52.51 25.58 3.69 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 126.31 1.844 . . . . 0.0 115.076 -176.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -121.54 99.4 6.45 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 128.763 2.825 . . . . 0.0 111.155 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.02 149.09 13.94 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 176.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.35 165.04 19.75 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 130.899 3.68 . . . . 0.0 109.055 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -125.89 134.24 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 175.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.456 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -149.27 175.52 11.33 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.477 0.711 . . . . 0.0 110.891 177.606 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t30 59.15 18.44 6.48 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.668 1.187 . . . . 0.0 113.363 174.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -58.28 113.67 2.06 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.712 2.005 . . . . 0.0 111.889 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.6 m -107.4 156.07 19.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.958 1.703 . . . . 0.0 111.626 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -140.12 137.82 34.78 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.296 1.439 . . . . 0.0 110.539 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -132.06 146.67 52.21 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 126.663 1.985 . . . . 0.0 111.285 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -139.15 116.3 11.05 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.897 0.38 . . . . 0.0 111.329 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -118.86 121.5 40.16 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.362 1.465 . . . . 0.0 113.248 174.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t70 44.82 21.19 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 118.54 2.793 . . . . 0.0 118.54 172.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.76 -20.41 10.05 Favored Glycine 0 N--CA 1.477 1.397 0 C-N-CA 126.231 1.872 . . . . 0.0 113.247 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -75.34 136.78 40.81 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.093 1.357 . . . . 0.0 108.93 174.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -117.91 130.0 55.97 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.607 1.563 . . . . 0.0 108.659 176.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.44 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.8 139.32 50.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 123.875 0.87 . . . . 0.0 109.529 -178.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.39 118.16 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.985 1.314 . . . . 0.0 109.292 177.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.5 p -121.95 134.92 54.84 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.514 0.726 . . . . 0.0 111.879 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -152.35 -168.79 3.16 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.011 -1.055 . . . . 0.0 113.391 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -141.73 158.24 44.05 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.531 1.132 . . . . 0.0 109.709 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -108.52 139.01 43.88 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.456 ' CD1' HG22 ' A' ' 42' ' ' THR . 5.6 mp -132.87 129.28 38.22 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.506 1.123 . . . . 0.0 110.299 -175.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.0 t -56.42 123.69 15.56 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.53 1.132 . . . . 0.0 111.159 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -63.04 -12.62 27.63 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.228 -1.545 . . . . 0.0 111.722 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -96.3 -67.0 0.87 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.312 1.045 . . . . 0.0 111.631 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.2 p -93.84 -5.74 47.38 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 63.7 m80 52.63 20.48 1.54 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.302 1.841 . . . . 0.0 115.018 -176.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 146.19 53.47 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 169.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.8 t -74.64 104.96 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 O-C-N 121.678 -0.639 . . . . 0.0 109.745 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.3 mt -61.03 -45.58 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.377 1.471 . . . . 0.0 110.684 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.75 164.54 23.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.802 1.241 . . . . 0.0 112.131 -176.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -110.44 143.6 40.49 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.28 1.432 . . . . 0.0 108.66 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -125.06 138.27 54.2 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.862 1.665 . . . . 0.0 111.848 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -137.76 132.07 32.18 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.742 1.217 . . . . 0.0 108.863 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -131.39 125.71 33.31 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.44 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -128.46 135.77 49.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.965 0.888 . . . . 0.0 108.675 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -128.57 126.2 39.83 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.017 0.927 . . . . 0.0 110.175 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.01 142.93 51.43 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.516 1.926 . . . . 0.0 113.656 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.2 122.36 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 O-C-N 121.022 -1.049 . . . . 0.0 110.194 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.72 24.66 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.937 1.295 . . . . 0.0 113.434 177.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 51.74 -71.41 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 128.354 2.661 . . . . 0.0 116.708 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -136.31 8.16 3.14 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.764 2.026 . . . . 0.0 111.963 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.03 170.46 13.96 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.95 -1.094 . . . . 0.0 109.159 -175.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.17 143.43 50.51 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 125.007 1.323 . . . . 0.0 109.287 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -121.43 129.28 52.9 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.393 1.877 . . . . 0.0 109.215 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -120.96 128.88 53.15 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 125.01 1.324 . . . . 0.0 109.133 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.88 142.45 36.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 122.02 0.914 . . . . 0.0 109.183 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 ttp -137.05 145.65 44.27 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 125.628 1.571 . . . . 0.0 109.298 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tp -150.84 105.36 3.26 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.352 1.861 . . . . 0.0 110.108 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.7 t -142.12 136.89 30.52 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.291 1.837 . . . . 0.0 109.724 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.4 tp -59.91 -34.45 73.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.218 1.007 . . . . 0.0 111.8 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.9 tp -95.38 -63.82 1.12 Allowed 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 124.911 1.284 . . . . 0.0 111.303 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.1 m -64.72 -37.2 86.79 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 124.161 0.985 . . . . 0.0 113.468 -173.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.12 175.19 13.98 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 118.094 1.998 . . . . 0.0 118.094 172.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -113.18 116.68 30.2 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 125.354 1.462 . . . . 0.0 109.797 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.65 157.27 44.53 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.226 1.011 . . . . 0.0 113.712 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -150.18 139.04 20.89 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.258 1.023 . . . . 0.0 111.532 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.77 152.39 43.72 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.289 1.836 . . . . 0.0 111.785 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.91 134.37 38.66 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.736 -0.603 . . . . 0.0 110.511 174.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.1 mt -122.26 127.74 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.062 1.345 . . . . 0.0 110.841 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.7 p . . . . . 0 N--CA 1.47 0.568 0 O-C-N 121.421 -0.799 . . . . 0.0 108.903 173.17 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.74 -34.24 1.02 Allowed Glycine 0 CA--C 1.531 1.045 0 C-N-CA 126.967 2.223 . . . . 0.0 111.831 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.53 -18.74 65.55 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 121.698 -0.883 . . . . 0.0 109.982 169.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.4 m -62.57 -25.59 68.15 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.268 1.827 . . . . 0.0 113.056 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.3 m -111.37 138.73 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.118 0.967 . . . . 0.0 111.865 -174.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -64.83 -40.38 95.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.905 1.282 . . . . 0.0 110.334 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 11' ' ' PRO . 28.5 mtmm -135.37 139.1 43.97 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.741 2.016 . . . . 0.0 108.911 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -81.09 125.26 29.99 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.634 0.774 . . . . 0.0 109.367 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 45.51 59.55 14.56 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 124.884 1.274 . . . . 0.0 113.051 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 67.1 Cg_endo -63.12 143.49 90.39 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.241 2.627 . . . . 0.0 111.785 -178.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -76.61 143.23 40.33 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 120.502 -1.374 . . . . 0.0 109.401 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.04 31.21 6.75 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -175.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.99 37.05 69.21 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 123.46 0.552 . . . . 0.0 113.073 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 84.08 6.83 0.62 Allowed 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 128.816 2.847 . . . . 0.0 114.659 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.406 HG22 HD13 ' A' ' 18' ' ' LEU . 95.7 m -70.36 117.25 11.66 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 120.257 -1.527 . . . . 0.0 111.524 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.9 m -121.69 109.8 15.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.543 1.137 . . . . 0.0 110.266 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.406 HD13 HG22 ' A' ' 16' ' ' THR . 6.0 mp -119.25 145.4 46.1 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.186 1.794 . . . . 0.0 113.598 -175.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.97 -4.56 46.47 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.619 1.967 . . . . 0.0 113.228 176.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -147.35 154.98 41.56 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.261 1.024 . . . . 0.0 112.871 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.83 -176.04 16.85 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.655 1.597 . . . . 0.0 114.563 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.3 m -148.77 118.54 7.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.623 2.369 . . . . 0.0 108.046 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -74.85 77.59 2.12 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -173.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.7 mt -52.46 -29.4 24.49 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.1 mt -71.04 -13.46 61.99 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -110.9 -29.02 8.11 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.167 1.387 . . . . 0.0 110.397 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -67.88 111.2 4.21 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.141 0.882 . . . . 0.0 109.934 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.5 p -87.2 -3.77 59.07 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.824 0.85 . . . . 0.0 112.531 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.86 148.58 20.5 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.943 1.735 . . . . 0.0 109.119 -174.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.4 t -52.72 167.77 0.14 Allowed 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.662 1.585 . . . . 0.0 114.091 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.45 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -125.73 -11.6 6.66 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.311 172.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.7 t -74.0 -35.34 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 119.713 1.142 . . . . 0.0 109.158 171.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.0 p -131.68 -15.65 3.07 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 80.32 17.04 0.67 Allowed 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -84.42 147.27 27.21 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 119.772 -1.83 . . . . 0.0 112.91 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -122.97 160.89 25.29 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.041 1.737 . . . . 0.0 109.881 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.259 4.2 p30 50.93 27.48 3.21 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 126.356 1.862 . . . . 0.0 115.072 -175.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -123.19 100.72 7.0 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 128.708 2.803 . . . . 0.0 111.564 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.34 150.21 17.92 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 176.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.37 167.52 16.08 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 131.218 3.807 . . . . 0.0 108.938 178.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 88.1 mt -129.88 136.44 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.929 1.691 . . . . 0.0 106.97 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.437 HG22 HD11 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -148.91 173.76 12.97 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.313 0.645 . . . . 0.0 111.611 178.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.281 0.0 OUTLIER 57.59 14.61 2.41 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.414 2.286 . . . . 0.0 115.441 178.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -50.68 111.46 0.55 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.847 2.059 . . . . 0.0 112.901 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.3 m -107.44 155.96 19.47 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.822 1.649 . . . . 0.0 111.834 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -141.38 137.77 32.54 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.555 1.542 . . . . 0.0 110.135 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -131.48 146.63 52.33 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.53 1.932 . . . . 0.0 111.113 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -138.73 116.31 11.34 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -118.95 121.41 39.87 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.422 1.489 . . . . 0.0 113.382 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t70 45.69 20.91 0.07 Allowed 'General case' 0 CA--C 1.559 1.298 0 N-CA-C 118.427 2.751 . . . . 0.0 118.427 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.54 -20.81 10.1 Favored Glycine 0 N--CA 1.477 1.411 0 C-N-CA 126.316 1.912 . . . . 0.0 113.163 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -75.56 136.74 40.53 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.934 1.293 . . . . 0.0 108.822 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -118.08 129.9 55.82 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.912 1.685 . . . . 0.0 108.516 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.67 138.94 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 123.805 0.842 . . . . 0.0 109.188 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.6 t -132.38 118.14 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 124.776 1.23 . . . . 0.0 108.993 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.5 p -122.03 134.88 54.8 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.594 0.758 . . . . 0.0 111.844 177.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -153.53 -171.66 3.98 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.079 -1.013 . . . . 0.0 113.192 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.66 158.19 44.13 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.703 1.201 . . . . 0.0 108.997 -178.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -112.29 141.05 46.47 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.184 1.394 . . . . 0.0 108.092 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.437 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.56 134.62 45.19 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.615 1.166 . . . . 0.0 111.174 -175.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.8 t -59.75 123.91 18.47 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.385 1.074 . . . . 0.0 110.641 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -63.12 -13.47 36.92 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.15 -1.594 . . . . 0.0 111.71 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -94.84 -68.72 0.79 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.463 1.105 . . . . 0.0 111.613 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.8 p -91.53 -6.55 52.3 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.298 73.1 m80 53.41 21.13 2.25 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.326 1.85 . . . . 0.0 114.974 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.95 147.06 52.19 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.111 1.364 . . . . 0.0 107.576 169.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.9 t -75.65 105.13 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.622 -0.674 . . . . 0.0 110.032 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.2 mt -61.29 -45.63 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 125.622 1.569 . . . . 0.0 111.124 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.66 167.8 20.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.566 1.146 . . . . 0.0 112.439 -175.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -115.5 140.72 48.9 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.861 1.664 . . . . 0.0 109.179 174.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.05 139.33 54.19 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.13 1.772 . . . . 0.0 112.37 -177.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -139.59 132.94 30.04 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.592 1.157 . . . . 0.0 108.677 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -132.0 125.96 32.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.58 135.81 49.87 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -129.87 127.47 40.27 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.091 0.956 . . . . 0.0 110.469 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -126.22 142.79 51.39 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.918 2.087 . . . . 0.0 113.733 -177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.5 mt -114.48 121.47 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 171.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . 0.379 0.0 OUTLIER -119.87 121.28 38.71 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 174.475 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 53.87 -70.05 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 128.734 2.814 . . . . 0.0 116.804 176.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -137.39 5.51 2.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.128 1.771 . . . . 0.0 112.577 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -132.18 173.5 11.18 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.791 1.178 . . . . 0.0 109.543 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -125.12 143.43 50.93 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.681 1.592 . . . . 0.0 108.799 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -122.83 130.86 53.4 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 127.611 2.364 . . . . 0.0 109.932 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -121.74 130.66 53.59 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 125.127 1.371 . . . . 0.0 109.068 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.88 143.11 36.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 122.212 1.006 . . . . 0.0 109.494 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.8 ttp -138.11 145.32 41.5 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 125.696 1.598 . . . . 0.0 109.2 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 tp -151.9 105.36 3.1 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.152 1.781 . . . . 0.0 110.186 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.7 t -142.41 136.68 29.78 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 126.334 1.854 . . . . 0.0 109.941 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.75 -34.35 72.85 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.142 0.977 . . . . 0.0 111.954 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.5 tp -94.76 -62.42 1.32 Allowed 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.879 1.272 . . . . 0.0 111.341 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 79.9 m -66.01 -39.24 90.08 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.237 1.015 . . . . 0.0 113.543 -172.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.69 174.45 13.68 Favored Glycine 0 C--N 1.336 0.582 0 N-CA-C 118.063 1.985 . . . . 0.0 118.063 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.87 117.96 32.87 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.178 1.391 . . . . 0.0 110.232 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.75 157.24 44.53 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -150.12 137.79 19.95 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.359 1.064 . . . . 0.0 111.035 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -141.78 152.42 43.74 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.281 1.832 . . . . 0.0 111.939 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -135.41 134.87 40.13 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.894 -0.504 . . . . 0.0 111.112 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.3 mt -122.28 127.56 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.503 1.521 . . . . 0.0 110.814 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.47 0.536 0 O-C-N 121.5 -0.75 . . . . 0.0 109.725 174.711 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.83 -33.77 1.03 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 126.853 2.168 . . . . 0.0 111.871 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.3 -18.44 65.35 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 118.058 0.929 . . . . 0.0 110.064 169.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.53 -27.5 68.65 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.852 1.661 . . . . 0.0 112.91 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 m -111.12 138.92 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.701 1.2 . . . . 0.0 111.754 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.8 -38.01 89.55 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.854 -1.154 . . . . 0.0 111.195 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -137.19 143.84 42.56 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.56 1.944 . . . . 0.0 109.396 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.44 124.77 29.72 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.954 0.902 . . . . 0.0 109.365 175.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 46.14 59.89 14.86 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 124.915 1.286 . . . . 0.0 113.213 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -63.17 145.37 93.48 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.167 2.578 . . . . 0.0 111.639 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -77.73 143.73 37.81 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.587 -1.32 . . . . 0.0 109.604 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.02 31.06 6.83 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -175.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.0 36.82 68.5 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 123.438 0.542 . . . . 0.0 113.081 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.95 6.83 0.64 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.87 2.868 . . . . 0.0 114.737 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.413 HG22 HD13 ' A' ' 18' ' ' LEU . 97.2 m -70.64 117.71 12.5 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.32 -1.487 . . . . 0.0 111.617 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.5 m -121.23 109.35 14.85 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.634 1.174 . . . . 0.0 110.303 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.413 HD13 HG22 ' A' ' 16' ' ' THR . 5.8 mp -118.1 145.08 45.12 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.259 1.824 . . . . 0.0 113.478 -175.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.2 -7.8 41.14 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.16 1.784 . . . . 0.0 113.026 176.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -145.26 156.31 43.75 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -177.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.11 -168.14 12.75 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 126.057 1.789 . . . . 0.0 114.853 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.1 m -152.24 119.31 5.85 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.075 2.15 . . . . 0.0 108.105 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -74.66 77.3 2.03 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 115.883 1.808 . . . . 0.0 115.883 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.5 mt -51.5 -29.53 16.93 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.51 -19.66 62.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.827 0.851 . . . . 0.0 113.216 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -101.9 -33.91 9.59 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.213 1.005 . . . . 0.0 109.842 174.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -65.84 109.47 2.49 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.787 -0.571 . . . . 0.0 110.075 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.2 p -90.62 7.31 39.92 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.148 0.979 . . . . 0.0 112.198 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.0 151.46 27.99 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.51 1.529 . . . . 0.0 109.588 -175.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.78 170.42 0.12 Allowed 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.8 1.64 . . . . 0.0 114.264 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.435 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.85 -11.62 5.42 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.339 171.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.5 t -73.63 -35.46 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 119.793 1.179 . . . . 0.0 109.044 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.3 p -131.44 -17.37 2.96 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 116.184 1.92 . . . . 0.0 116.184 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.32 15.98 0.54 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.532 1.933 . . . . 0.0 116.158 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -82.44 148.23 28.3 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 119.723 -1.861 . . . . 0.0 113.035 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -123.21 160.94 25.51 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.691 1.597 . . . . 0.0 110.096 175.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.04 26.6 3.87 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.34 1.856 . . . . 0.0 114.911 -175.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.32 99.34 6.37 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 128.895 2.878 . . . . 0.0 111.377 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.1 150.1 18.26 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.79 167.26 16.77 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 131.263 3.825 . . . . 0.0 109.691 178.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.0 mt -127.71 134.07 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 126.219 1.808 . . . . 0.0 107.092 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.45 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.13 173.13 12.79 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.76 0.824 . . . . 0.0 111.663 178.597 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.266 0.0 OUTLIER 56.28 13.04 1.13 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 127.457 2.303 . . . . 0.0 115.248 179.267 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -53.63 113.08 1.05 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 127.86 2.464 . . . . 0.0 114.199 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.1 m -107.53 156.18 19.28 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.508 1.523 . . . . 0.0 112.767 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tt -138.49 137.73 37.4 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.105 1.762 . . . . 0.0 109.108 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -132.01 146.61 52.18 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 126.332 1.853 . . . . 0.0 110.659 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -137.58 116.27 12.17 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 175.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -118.92 121.4 39.88 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.047 1.339 . . . . 0.0 113.68 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.6 t70 46.75 20.43 0.11 Allowed 'General case' 0 CA--C 1.558 1.287 0 N-CA-C 118.581 2.808 . . . . 0.0 118.581 170.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.12 -20.7 9.68 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 126.721 2.105 . . . . 0.0 113.36 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -77.92 138.56 38.95 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.514 1.526 . . . . 0.0 109.535 175.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -117.94 129.83 55.85 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.032 1.733 . . . . 0.0 108.587 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.66 139.51 50.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 124.078 0.951 . . . . 0.0 109.376 -177.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.7 t -132.42 117.98 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.695 1.198 . . . . 0.0 108.571 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.2 p -122.02 134.19 54.8 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.835 0.854 . . . . 0.0 111.876 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -155.73 -170.71 3.51 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.255 -0.903 . . . . 0.0 113.211 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.68 158.18 44.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.882 1.273 . . . . 0.0 108.933 -178.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -112.06 140.33 46.83 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.232 1.413 . . . . 0.0 108.003 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.45 ' CD1' HG22 ' A' ' 42' ' ' THR . 6.3 mp -132.18 133.92 44.78 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.697 1.199 . . . . 0.0 111.003 -175.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.03 123.19 15.76 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.497 1.119 . . . . 0.0 110.621 177.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -62.82 -13.48 34.09 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 120.052 -1.655 . . . . 0.0 111.711 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -94.71 -67.92 0.83 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.419 1.087 . . . . 0.0 111.657 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.6 p -92.24 -6.44 50.47 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 72.7 m80 53.27 21.57 2.34 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 126.324 1.85 . . . . 0.0 115.062 -177.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.75 146.81 51.2 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.17 1.388 . . . . 0.0 107.488 169.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.8 t -75.44 105.59 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 O-C-N 121.575 -0.703 . . . . 0.0 109.981 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.9 mt -62.04 -45.58 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 125.45 1.5 . . . . 0.0 111.059 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.53 167.64 21.14 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.5 1.12 . . . . 0.0 112.626 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -115.4 140.76 48.85 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.946 1.698 . . . . 0.0 109.022 174.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -124.29 138.96 54.33 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.909 1.684 . . . . 0.0 112.477 -177.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -139.37 132.22 29.24 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.666 1.187 . . . . 0.0 108.713 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -131.64 126.21 34.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 173.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.62 135.79 49.8 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -129.09 125.13 36.53 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.038 0.935 . . . . 0.0 110.091 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -126.11 142.9 51.33 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.818 2.047 . . . . 0.0 113.763 -175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.71 122.15 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 121.135 -0.978 . . . . 0.0 110.385 174.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.75 24.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.037 1.335 . . . . 0.0 113.726 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.3 t0 52.27 -70.92 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 128.34 2.656 . . . . 0.0 116.725 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -136.74 8.79 3.06 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.822 2.049 . . . . 0.0 112.037 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.92 170.96 13.75 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.863 -1.148 . . . . 0.0 108.956 -175.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -125.39 143.49 50.95 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.155 1.382 . . . . 0.0 109.236 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -121.27 129.58 53.22 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 126.776 2.03 . . . . 0.0 109.113 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -120.64 129.72 53.83 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.951 1.301 . . . . 0.0 108.895 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.94 142.07 36.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 122.216 1.008 . . . . 0.0 109.361 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.8 ttp -138.54 145.04 40.21 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 125.659 1.584 . . . . 0.0 109.305 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.4 tp -151.43 105.67 3.2 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.123 1.769 . . . . 0.0 110.196 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.7 t -142.66 136.97 29.61 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 126.163 1.785 . . . . 0.0 110.217 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.0 tp -59.15 -34.17 71.76 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.198 0.999 . . . . 0.0 111.855 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.7 tp -96.52 -63.13 1.17 Allowed 'General case' 0 C--O 1.232 0.166 0 C-N-CA 125.061 1.344 . . . . 0.0 111.231 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.1 m -64.69 -37.59 88.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -173.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.55 174.81 13.84 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 117.761 1.865 . . . . 0.0 117.761 172.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -112.86 117.6 32.58 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.522 1.529 . . . . 0.0 109.821 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.76 157.2 44.55 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.344 1.058 . . . . 0.0 113.828 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -150.98 137.77 18.94 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.309 1.044 . . . . 0.0 111.158 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -141.82 152.47 43.72 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.41 1.884 . . . . 0.0 111.856 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.03 133.65 39.6 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.778 -0.576 . . . . 0.0 110.735 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.7 mt -122.26 129.72 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.422 1.489 . . . . 0.0 111.313 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.1 p . . . . . 0 N--CA 1.472 0.633 0 O-C-N 121.16 -0.963 . . . . 0.0 109.362 173.126 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.64 -33.73 1.0 Allowed Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.986 2.232 . . . . 0.0 111.726 -177.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -65.7 -19.19 65.81 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 118.047 0.924 . . . . 0.0 109.964 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.5 m -61.96 -25.87 67.86 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.132 1.773 . . . . 0.0 113.157 175.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.0 m -112.15 138.48 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.506 1.123 . . . . 0.0 111.526 -174.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -63.94 -38.77 92.32 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.872 -1.142 . . . . 0.0 110.779 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -137.26 142.89 41.99 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.577 1.551 . . . . 0.0 109.43 176.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -80.92 124.31 29.02 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.087 0.955 . . . . 0.0 109.314 176.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 46.86 59.98 15.52 Favored Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 124.698 1.199 . . . . 0.0 113.117 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -63.09 146.75 94.61 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.37 2.713 . . . . 0.0 111.429 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -77.92 145.46 36.12 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.523 -1.361 . . . . 0.0 109.393 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -119.16 28.63 8.12 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.32 36.95 71.24 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.345 0.498 . . . . 0.0 112.872 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 82.96 6.34 0.83 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 128.915 2.886 . . . . 0.0 114.731 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.429 HG22 HD13 ' A' ' 18' ' ' LEU . 92.4 m -70.71 118.66 13.78 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.251 -1.531 . . . . 0.0 111.536 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.3 m -122.8 109.84 14.71 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.68 1.192 . . . . 0.0 110.31 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.429 HD13 HG22 ' A' ' 16' ' ' THR . 6.4 mp -120.84 148.79 43.54 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.09 1.756 . . . . 0.0 113.966 -175.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.11 0.85 38.54 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.321 2.248 . . . . 0.0 112.837 176.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -141.26 159.5 42.08 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.227 1.411 . . . . 0.0 113.249 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.7 -175.32 35.5 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.265 1.412 . . . . 0.0 115.929 175.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 m -146.13 123.14 11.4 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 127.798 2.439 . . . . 0.0 108.533 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -75.29 76.72 2.4 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -174.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.3 mt -51.78 -29.54 19.37 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.38 -18.89 63.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.315 1.046 . . . . 0.0 113.182 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -102.7 -33.1 9.54 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.172 0.989 . . . . 0.0 110.376 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -66.13 109.97 2.8 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 175.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.7 p -88.65 2.06 53.9 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.225 1.01 . . . . 0.0 112.11 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.31 150.61 26.86 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.94 1.733 . . . . 0.0 109.448 -175.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.1 t -53.1 168.87 0.12 Allowed 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.562 1.545 . . . . 0.0 114.301 -177.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.433 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.54 -11.43 6.2 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.24 171.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.9 t -74.02 -35.41 41.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 119.681 1.128 . . . . 0.0 109.056 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.0 p -131.59 -16.7 2.98 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 82.2 14.6 0.48 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -83.34 145.37 29.09 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.025 -1.672 . . . . 0.0 113.34 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -119.33 160.76 21.64 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.684 1.594 . . . . 0.0 110.016 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.06 26.7 3.96 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 126.337 1.855 . . . . 0.0 115.045 -176.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.29 98.84 6.11 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 128.704 2.802 . . . . 0.0 111.386 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.93 150.55 18.94 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.46 165.37 19.96 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 131.265 3.826 . . . . 0.0 109.266 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.1 mt -127.57 134.18 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 125.873 1.669 . . . . 0.0 106.866 176.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.445 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.27 172.77 13.33 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.483 0.713 . . . . 0.0 111.78 178.784 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.278 0.0 OUTLIER 57.78 15.82 3.2 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.262 2.225 . . . . 0.0 114.897 178.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -54.33 112.86 1.07 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.987 2.115 . . . . 0.0 113.476 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.2 m -107.47 156.12 19.31 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.296 1.438 . . . . 0.0 112.297 176.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -138.72 137.76 37.08 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.68 1.592 . . . . 0.0 109.697 177.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -131.88 146.69 52.27 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 126.379 1.872 . . . . 0.0 111.125 -178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -138.9 116.36 11.26 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.898 0.38 . . . . 0.0 111.09 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -118.91 121.42 39.93 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.286 1.434 . . . . 0.0 113.198 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 45.1 20.73 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 118.415 2.746 . . . . 0.0 118.415 172.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.07 -20.96 9.63 Favored Glycine 0 N--CA 1.477 1.424 0 C-N-CA 126.273 1.892 . . . . 0.0 113.304 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -74.73 136.99 41.76 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.104 1.361 . . . . 0.0 108.92 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -117.94 129.85 55.86 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.584 1.554 . . . . 0.0 108.705 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.407 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.72 139.58 49.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 123.836 0.855 . . . . 0.0 109.47 -178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.2 t -132.35 118.13 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.757 1.223 . . . . 0.0 108.797 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.5 p -121.91 134.75 54.86 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.523 0.729 . . . . 0.0 112.015 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -154.45 -170.95 3.69 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -141.64 158.31 43.99 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.897 1.279 . . . . 0.0 109.248 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -111.7 141.15 45.67 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.222 1.409 . . . . 0.0 108.206 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.445 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.68 134.37 44.73 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.763 1.225 . . . . 0.0 110.883 -176.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.3 t -59.42 123.48 16.94 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.486 1.114 . . . . 0.0 110.745 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -63.05 -12.84 29.37 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 120.107 -1.621 . . . . 0.0 111.737 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -95.86 -67.7 0.84 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.549 1.139 . . . . 0.0 111.655 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.2 p -92.84 -5.98 49.81 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.294 70.8 m80 53.49 20.29 2.0 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.374 1.87 . . . . 0.0 115.156 -177.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.4 147.06 52.61 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.844 1.257 . . . . 0.0 107.719 169.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.7 t -76.46 102.25 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 O-C-N 121.558 -0.714 . . . . 0.0 110.325 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.9 mt -58.66 -47.49 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.555 1.542 . . . . 0.0 111.478 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -161.7 168.31 23.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.409 1.084 . . . . 0.0 112.511 -175.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.6 141.26 48.42 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.147 1.779 . . . . 0.0 108.747 176.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -125.77 138.64 53.86 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.678 1.591 . . . . 0.0 112.781 -176.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -140.19 131.43 26.6 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 124.452 1.101 . . . . 0.0 108.977 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -130.51 126.7 37.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 173.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.407 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -129.01 135.77 49.41 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -128.63 127.2 41.76 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.217 1.007 . . . . 0.0 110.116 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.98 142.9 51.11 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.511 1.925 . . . . 0.0 113.562 -176.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.9 mt -109.73 121.97 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 O-C-N 121.048 -1.032 . . . . 0.0 109.862 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.46 115.8 24.8 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.721 1.209 . . . . 0.0 113.75 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 51.05 -69.0 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 128.534 2.733 . . . . 0.0 117.365 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -136.23 6.1 3.05 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.975 2.11 . . . . 0.0 112.059 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.59 170.47 14.69 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.991 -1.068 . . . . 0.0 109.569 -175.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -122.71 143.53 49.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.804 1.242 . . . . 0.0 109.322 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -121.61 130.78 53.73 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 126.844 2.058 . . . . 0.0 109.555 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -122.08 129.97 52.85 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 124.955 1.302 . . . . 0.0 109.168 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.51 142.39 37.28 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.925 0.869 . . . . 0.0 109.099 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.1 ttp -138.0 145.69 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.57 1.548 . . . . 0.0 109.302 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.52 105.21 3.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.291 1.836 . . . . 0.0 110.255 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 37.6 t -142.11 136.87 30.52 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.153 1.781 . . . . 0.0 110.204 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.1 tp -59.26 -34.11 71.85 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.164 0.985 . . . . 0.0 111.947 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.8 tp -96.64 -63.16 1.17 Allowed 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.928 1.291 . . . . 0.0 111.117 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.1 m -64.6 -37.4 87.43 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.006 0.922 . . . . 0.0 113.32 -173.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.29 174.61 13.8 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 117.866 1.906 . . . . 0.0 117.866 172.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -113.42 117.13 30.87 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.331 1.452 . . . . 0.0 110.255 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.75 157.28 44.5 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -149.81 138.3 20.7 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.349 1.06 . . . . 0.0 110.924 175.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -141.89 152.35 43.5 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 126.205 1.802 . . . . 0.0 111.802 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.04 134.14 38.16 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.72 -0.613 . . . . 0.0 110.756 174.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.4 mt -122.21 125.85 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.121 1.369 . . . . 0.0 110.727 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.469 0.52 0 O-C-N 121.401 -0.812 . . . . 0.0 109.461 174.265 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.8 -33.88 1.03 Allowed Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.941 2.21 . . . . 0.0 111.776 -177.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.38 -18.28 65.27 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.03 0.915 . . . . 0.0 109.966 170.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.4 m -61.8 -27.29 68.65 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.851 1.661 . . . . 0.0 112.865 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.5 m -110.59 139.29 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.52 1.128 . . . . 0.0 111.801 -174.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -64.18 -41.34 97.16 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.948 1.299 . . . . 0.0 110.67 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -134.5 141.99 46.91 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 127.013 2.125 . . . . 0.0 109.35 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.45 124.62 29.59 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.831 0.853 . . . . 0.0 109.318 175.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 46.36 59.81 15.19 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 124.892 1.277 . . . . 0.0 113.182 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -63.25 145.56 93.26 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.254 2.636 . . . . 0.0 111.579 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -78.14 144.11 36.7 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.437 -1.415 . . . . 0.0 109.492 175.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -118.99 31.2 6.76 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.88 37.23 69.15 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.5 0.572 . . . . 0.0 112.994 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.66 7.19 0.67 Allowed 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 128.806 2.842 . . . . 0.0 114.714 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.402 HG22 HD13 ' A' ' 18' ' ' LEU . 95.0 m -70.57 118.1 12.94 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.292 -1.505 . . . . 0.0 111.435 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.9 m -122.52 109.45 14.35 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.71 1.204 . . . . 0.0 110.28 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.402 HD13 HG22 ' A' ' 16' ' ' THR . 6.0 mp -120.25 144.49 47.74 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.328 1.851 . . . . 0.0 113.52 -175.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -93.11 -4.86 51.54 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.711 1.604 . . . . 0.0 113.293 176.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -145.3 154.07 41.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.317 1.047 . . . . 0.0 113.176 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.89 -169.77 14.32 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.458 1.504 . . . . 0.0 115.138 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.3 m -156.55 114.44 3.26 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 127.645 2.378 . . . . 0.0 107.643 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -73.79 78.27 1.58 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 -173.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.7 mt -51.28 -30.0 16.52 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.0 mt -70.69 -19.09 62.8 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.928 0.891 . . . . 0.0 113.306 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -102.95 -33.62 9.24 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.524 1.129 . . . . 0.0 109.537 175.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -65.89 109.61 2.57 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.714 0.688 . . . . 0.0 109.981 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.9 p -90.61 6.82 42.19 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.235 1.014 . . . . 0.0 112.147 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.24 151.2 27.72 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.55 1.548 . . . . 0.0 109.519 -174.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.52 170.47 0.1 Allowed 'General case' 0 C--O 1.239 0.521 0 C-N-CA 125.924 1.689 . . . . 0.0 114.216 -177.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.96 -11.86 5.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.374 171.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.4 t -73.4 -35.42 45.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 119.801 1.182 . . . . 0.0 109.079 171.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 p -131.31 -17.69 2.97 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 116.129 1.899 . . . . 0.0 116.129 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 82.12 14.66 0.49 Allowed 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -81.81 147.2 29.5 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.106 -1.621 . . . . 0.0 113.166 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -121.86 160.73 24.12 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.635 1.574 . . . . 0.0 109.999 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.269 4.0 p30 52.34 26.56 4.16 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.229 1.811 . . . . 0.0 114.875 -175.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.42 99.32 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 128.914 2.886 . . . . 0.0 111.246 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.11 150.05 18.19 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 176.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.44 167.09 16.73 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 131.206 3.803 . . . . 0.0 109.157 178.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.4 mt -128.76 135.66 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 125.939 1.696 . . . . 0.0 106.983 176.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.44 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.5 172.88 13.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.532 0.733 . . . . 0.0 111.754 178.463 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER 57.32 14.21 2.05 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.35 2.26 . . . . 0.0 115.575 178.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 tttp -50.38 110.4 0.4 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.912 2.085 . . . . 0.0 113.187 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.8 m -107.38 155.95 19.45 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.758 1.623 . . . . 0.0 112.022 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.46 137.78 34.17 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.691 1.596 . . . . 0.0 110.089 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -132.09 146.66 52.2 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.506 1.922 . . . . 0.0 111.559 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -141.0 116.34 10.05 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -118.81 121.53 40.26 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.494 1.518 . . . . 0.0 113.425 173.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 45.77 20.52 0.07 Allowed 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 118.509 2.781 . . . . 0.0 118.509 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.44 -20.69 9.48 Favored Glycine 0 N--CA 1.476 1.353 0 C-N-CA 125.996 1.76 . . . . 0.0 112.984 -177.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -73.95 135.38 43.21 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.586 1.154 . . . . 0.0 108.584 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -118.05 129.84 55.8 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.284 1.434 . . . . 0.0 108.543 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -122.82 139.52 49.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 123.697 0.799 . . . . 0.0 109.282 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.0 t -132.52 118.06 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 124.589 1.156 . . . . 0.0 108.806 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.3 p -122.06 133.12 54.79 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.738 0.815 . . . . 0.0 112.1 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -152.93 -171.13 3.84 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.287 -0.883 . . . . 0.0 113.165 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.7 158.14 44.19 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.844 1.257 . . . . 0.0 109.145 -177.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -112.27 140.71 46.75 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.276 1.43 . . . . 0.0 108.148 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.58 134.19 44.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.703 1.201 . . . . 0.0 111.047 -175.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.57 123.25 16.26 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.485 1.114 . . . . 0.0 110.717 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -62.61 -13.53 32.58 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.098 -1.626 . . . . 0.0 111.778 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -94.85 -67.97 0.83 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.507 1.123 . . . . 0.0 111.669 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.51 -6.14 50.36 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 72.9 m80 53.16 20.89 1.96 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.335 1.854 . . . . 0.0 115.115 -177.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.95 146.78 52.47 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.097 1.359 . . . . 0.0 107.583 169.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.6 t -75.59 105.33 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 O-C-N 121.526 -0.734 . . . . 0.0 109.879 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.0 mt -61.54 -45.48 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.444 1.498 . . . . 0.0 111.145 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.84 167.39 20.84 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.596 1.158 . . . . 0.0 112.478 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -114.97 141.11 48.43 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.794 1.638 . . . . 0.0 109.061 174.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.59 138.98 54.45 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.127 1.771 . . . . 0.0 112.428 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -139.13 132.64 30.32 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.7 1.2 . . . . 0.0 108.787 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -131.94 125.87 32.67 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.02 135.77 50.33 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -129.36 128.75 43.71 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.047 0.939 . . . . 0.0 110.294 -178.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -129.73 142.88 50.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.236 1.814 . . . . 0.0 113.702 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mt -109.84 121.93 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 O-C-N 120.954 -1.091 . . . . 0.0 109.662 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.7 24.62 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.899 1.28 . . . . 0.0 114.169 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.5 t0 51.53 -68.78 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 128.459 2.703 . . . . 0.0 117.409 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -135.47 6.59 3.27 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.881 2.072 . . . . 0.0 112.084 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -132.7 170.84 14.65 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 120.71 -1.244 . . . . 0.0 109.877 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -121.82 143.45 49.4 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 125.417 1.487 . . . . 0.0 109.355 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -121.72 129.28 52.61 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 126.824 2.05 . . . . 0.0 109.46 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -121.59 130.15 53.32 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 125.014 1.326 . . . . 0.0 109.302 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.82 142.17 36.66 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 122.097 0.951 . . . . 0.0 109.484 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 ttp -138.37 145.62 41.3 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 125.758 1.623 . . . . 0.0 109.495 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 tp -151.89 105.55 3.12 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.133 1.773 . . . . 0.0 110.293 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.9 t -142.3 136.9 30.2 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.273 1.829 . . . . 0.0 110.012 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.52 -34.12 72.23 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.196 0.998 . . . . 0.0 111.851 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 tp -96.33 -63.19 1.17 Allowed 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.973 1.309 . . . . 0.0 111.248 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 79.6 m -64.27 -37.82 88.85 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.836 0.854 . . . . 0.0 113.26 -173.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.25 175.16 13.97 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 117.65 1.82 . . . . 0.0 117.65 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.38 118.31 34.2 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.238 1.415 . . . . 0.0 110.215 174.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.76 157.19 44.56 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -150.24 137.79 19.81 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.334 1.054 . . . . 0.0 110.939 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -141.81 152.4 43.68 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.164 1.785 . . . . 0.0 111.706 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.47 132.66 37.65 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.844 -0.535 . . . . 0.0 110.464 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.3 mt -122.19 128.16 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.398 1.479 . . . . 0.0 111.26 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.472 0.642 0 O-C-N 121.185 -0.947 . . . . 0.0 110.308 174.591 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.94 -33.99 1.05 Allowed Glycine 0 CA--C 1.53 1.02 0 C-N-CA 126.947 2.213 . . . . 0.0 111.795 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.37 -17.15 64.6 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 117.901 0.85 . . . . 0.0 110.049 169.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.4 m -63.14 -26.28 68.74 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.794 1.638 . . . . 0.0 112.764 175.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m -112.13 140.05 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.146 0.978 . . . . 0.0 111.964 -174.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.71 -38.74 92.02 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.921 -1.112 . . . . 0.0 111.109 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -136.56 143.59 43.75 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.551 1.94 . . . . 0.0 109.48 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -81.35 125.08 29.95 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.102 0.961 . . . . 0.0 109.26 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 45.8 59.68 14.72 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 124.891 1.276 . . . . 0.0 113.199 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -63.19 145.19 93.27 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.176 2.584 . . . . 0.0 111.297 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -78.22 143.9 36.73 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.291 -1.506 . . . . 0.0 109.64 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -116.54 31.19 6.88 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.22 12.51 12.33 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.034 1.778 . . . . 0.0 116.653 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 121.25 -2.9 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.129 1 C-N-CA 132.602 4.361 . . . . 0.0 115.589 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.405 HG22 HD13 ' A' ' 18' ' ' LEU . 89.6 m -64.4 116.36 6.01 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 120.936 -1.103 . . . . 0.0 112.813 -176.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.6 m -122.06 109.68 14.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.82 1.248 . . . . 0.0 110.194 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.405 HD13 HG22 ' A' ' 16' ' ' THR . 6.1 mp -119.64 145.68 46.23 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.229 1.811 . . . . 0.0 113.591 -175.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.52 -5.64 45.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.417 1.887 . . . . 0.0 113.243 176.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -148.37 152.15 36.53 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.488 1.115 . . . . 0.0 112.56 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.98 -176.18 16.21 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.462 1.506 . . . . 0.0 114.447 177.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.5 m -150.35 117.72 6.06 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.656 2.382 . . . . 0.0 108.05 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.11 77.32 2.27 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -174.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.6 mt -52.77 -25.26 10.72 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.95 1.834 . . . . 0.0 115.95 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.8 mt -74.59 -17.4 60.72 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.967 0.907 . . . . 0.0 112.93 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -104.44 -32.37 9.05 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.606 1.162 . . . . 0.0 110.386 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -66.14 104.37 1.15 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.513 0.597 . . . . 0.0 111.291 177.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.3 p -82.05 -2.29 51.3 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 121.059 -1.026 . . . . 0.0 112.911 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.22 149.34 22.84 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 126.077 1.799 . . . . 0.0 109.157 -175.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.7 t -52.83 167.22 0.16 Allowed 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.449 1.5 . . . . 0.0 113.99 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.428 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.17 -11.51 6.41 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 124.287 1.035 . . . . 0.0 112.438 172.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.6 t -72.85 -34.85 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 119.765 1.166 . . . . 0.0 108.946 171.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 p -131.73 -16.0 3.01 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 83.07 18.9 0.24 Allowed 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -91.59 138.99 31.12 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 119.937 -1.727 . . . . 0.0 114.098 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -112.76 161.39 16.95 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 126.191 1.796 . . . . 0.0 109.575 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.263 4.1 p30 51.55 27.17 3.71 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.429 1.892 . . . . 0.0 114.984 -175.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -123.72 98.74 5.96 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 128.713 2.805 . . . . 0.0 111.25 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.16 150.11 16.37 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 176.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.06 165.12 20.1 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 131.018 3.727 . . . . 0.0 108.981 178.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.5 mt -126.93 134.44 66.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 175.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.461 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -149.0 176.7 10.22 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.524 0.73 . . . . 0.0 111.257 178.315 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.0 t30 58.24 18.38 5.35 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.829 1.251 . . . . 0.0 113.668 173.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -58.25 113.99 2.2 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 127.017 2.127 . . . . 0.0 112.698 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.3 m -107.52 155.97 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 125.871 1.668 . . . . 0.0 111.754 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -139.71 137.82 35.47 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.59 1.556 . . . . 0.0 109.69 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -132.05 146.64 52.19 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 126.269 1.828 . . . . 0.0 111.491 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -139.18 116.43 11.13 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 117.923 0.328 . . . . 0.0 111.622 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -118.94 121.48 40.04 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.117 1.367 . . . . 0.0 113.233 173.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 45.07 20.69 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 118.545 2.794 . . . . 0.0 118.545 172.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.45 -21.2 9.3 Favored Glycine 0 N--CA 1.477 1.379 0 C-N-CA 126.159 1.837 . . . . 0.0 113.19 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -73.89 136.91 43.4 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.975 1.31 . . . . 0.0 108.923 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -118.04 129.88 55.83 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 125.544 1.538 . . . . 0.0 108.684 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.6 mp -123.05 138.44 53.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 124.058 0.943 . . . . 0.0 109.423 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.5 t -132.4 118.2 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 124.683 1.193 . . . . 0.0 108.9 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.2 p -122.02 134.6 54.8 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.812 0.845 . . . . 0.0 111.704 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -153.43 -168.72 3.09 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.989 -1.069 . . . . 0.0 113.161 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -141.73 158.33 43.94 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.583 1.153 . . . . 0.0 110.532 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -109.26 138.6 45.37 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 172.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 42' ' ' THR . 5.8 mp -132.85 131.77 41.38 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.722 1.209 . . . . 0.0 110.068 -175.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -57.84 124.06 17.9 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.57 1.148 . . . . 0.0 111.379 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -63.43 -12.63 32.66 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.245 -1.534 . . . . 0.0 111.708 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -97.19 -61.71 1.36 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.379 1.072 . . . . 0.0 112.481 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.0 p -99.99 -4.58 29.76 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.298 57.8 m80 52.49 19.43 1.18 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.527 1.931 . . . . 0.0 115.113 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.14 147.19 53.42 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 169.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.9 t -76.32 101.11 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 O-C-N 121.597 -0.689 . . . . 0.0 110.281 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.0 mt -57.45 -46.53 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.479 1.512 . . . . 0.0 111.337 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.69 165.1 26.09 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.483 1.113 . . . . 0.0 111.859 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -112.84 143.06 44.75 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.416 1.486 . . . . 0.0 108.341 174.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -125.47 138.42 54.0 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.313 1.445 . . . . 0.0 112.033 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -139.24 132.43 29.78 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.579 1.152 . . . . 0.0 108.738 174.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -131.55 126.12 34.07 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.59 135.84 49.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -129.13 125.91 38.15 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.151 0.98 . . . . 0.0 110.036 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.0 142.88 51.44 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.616 1.966 . . . . 0.0 113.725 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -110.47 122.73 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 O-C-N 121.09 -1.006 . . . . 0.0 110.182 174.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.8 24.81 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.915 1.286 . . . . 0.0 113.093 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 50.73 -77.1 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 127.865 2.466 . . . . 0.0 116.064 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -131.06 10.54 4.97 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.48 1.912 . . . . 0.0 112.119 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -131.07 170.27 14.73 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.665 -1.272 . . . . 0.0 109.141 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -124.89 143.5 50.82 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 125.239 1.416 . . . . 0.0 109.347 177.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -121.42 129.3 52.92 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 126.629 1.972 . . . . 0.0 109.37 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -121.01 129.92 53.58 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 124.974 1.309 . . . . 0.0 108.997 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.9 142.51 36.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.14 0.972 . . . . 0.0 109.33 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 ttp -138.0 145.02 41.39 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 125.735 1.614 . . . . 0.0 109.157 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.4 tp -151.18 104.96 3.17 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.243 1.817 . . . . 0.0 110.08 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 37.0 t -141.87 136.85 30.93 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 126.27 1.828 . . . . 0.0 109.964 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.0 tp -59.87 -33.84 72.35 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.166 0.986 . . . . 0.0 111.925 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -96.4 -62.83 1.21 Allowed 'General case' 0 C--O 1.231 0.116 0 C-N-CA 125.067 1.347 . . . . 0.0 111.299 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 84.9 m -64.63 -38.91 92.63 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.873 0.869 . . . . 0.0 113.122 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.98 174.93 13.84 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 117.671 1.828 . . . . 0.0 117.671 173.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -113.2 117.16 31.14 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.118 1.367 . . . . 0.0 109.827 174.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.67 157.28 44.52 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -150.05 138.78 20.82 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.222 1.009 . . . . 0.0 111.208 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -141.76 152.41 43.76 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.255 1.822 . . . . 0.0 111.77 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.58 134.19 39.09 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.818 -0.551 . . . . 0.0 110.517 174.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.7 mt -122.14 127.66 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.235 1.414 . . . . 0.0 111.088 -177.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.5 p . . . . . 0 N--CA 1.469 0.523 0 O-C-N 121.386 -0.821 . . . . 0.0 108.925 173.17 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.75 -33.81 1.02 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 126.933 2.206 . . . . 0.0 111.793 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -65.74 -19.12 65.78 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 117.957 0.879 . . . . 0.0 109.88 169.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.9 m -62.1 -25.61 67.82 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.199 1.8 . . . . 0.0 113.159 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.3 m -112.04 138.63 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.406 1.082 . . . . 0.0 111.716 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -64.06 -38.65 91.86 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.484 1.114 . . . . 0.0 110.953 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -137.1 143.91 42.79 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.55 1.94 . . . . 0.0 109.459 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -81.28 124.88 29.7 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.185 0.994 . . . . 0.0 109.305 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 46.12 59.91 14.82 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 124.857 1.263 . . . . 0.0 113.172 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -62.72 146.59 95.21 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.196 2.598 . . . . 0.0 111.617 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -76.38 145.25 39.53 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.722 -1.236 . . . . 0.0 109.181 175.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -119.99 28.73 7.92 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -175.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.85 37.11 68.4 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.323 0.487 . . . . 0.0 113.026 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 81.42 7.91 1.09 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 128.762 2.825 . . . . 0.0 114.851 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.43 HG22 HD13 ' A' ' 18' ' ' LEU . 95.2 m -71.27 117.61 13.01 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.24 -1.538 . . . . 0.0 111.412 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.8 m -121.65 109.53 14.87 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.519 1.128 . . . . 0.0 110.426 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.43 HD13 HG22 ' A' ' 16' ' ' THR . 6.6 mp -120.95 148.91 43.43 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.894 1.678 . . . . 0.0 114.071 -174.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.41 2.28 39.28 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.598 2.359 . . . . 0.0 112.789 176.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -141.51 159.07 42.97 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.373 1.469 . . . . 0.0 113.109 -176.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.01 -173.93 35.18 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.104 1.335 . . . . 0.0 116.36 174.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 m -145.49 133.41 21.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 128.103 2.561 . . . . 0.0 108.521 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -86.27 74.25 10.04 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.1 -25.56 13.42 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.1 mt -71.21 -19.97 62.32 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.262 1.025 . . . . 0.0 113.163 175.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -101.4 -33.5 9.97 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.651 1.18 . . . . 0.0 110.071 174.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -65.2 111.91 3.18 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.771 -0.581 . . . . 0.0 110.245 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.9 p -90.09 2.76 54.9 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.479 1.112 . . . . 0.0 112.298 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.49 149.98 26.29 Favored Glycine 0 CA--C 1.534 1.244 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -174.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.4 t -53.43 168.66 0.15 Allowed 'General case' 0 C--O 1.239 0.547 0 C-N-CA 125.409 1.483 . . . . 0.0 114.106 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.435 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.52 -11.69 6.19 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 124.35 1.06 . . . . 0.0 112.424 171.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.0 t -73.45 -35.4 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 119.758 1.163 . . . . 0.0 109.044 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.1 p -131.18 -16.55 3.15 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 81.38 16.25 0.52 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -84.23 146.89 27.56 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.105 -1.622 . . . . 0.0 113.235 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -122.1 162.27 21.57 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.635 1.574 . . . . 0.0 109.851 174.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.283 4.0 p30 52.85 26.09 4.35 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.187 1.795 . . . . 0.0 114.812 -175.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -123.84 99.4 6.26 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 128.751 2.82 . . . . 0.0 111.572 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.36 150.31 17.97 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 175.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.52 166.08 18.65 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 131.336 3.854 . . . . 0.0 109.163 178.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.5 mt -128.92 135.05 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 125.842 1.657 . . . . 0.0 106.759 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.437 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.92 172.76 13.67 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.356 0.662 . . . . 0.0 111.848 178.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.279 0.0 OUTLIER 58.8 14.86 3.45 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 127.521 2.328 . . . . 0.0 115.004 178.822 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -51.68 111.21 0.56 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.719 2.008 . . . . 0.0 113.028 -178.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.6 m -107.48 156.06 19.39 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 125.44 1.496 . . . . 0.0 112.102 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.08 137.82 34.84 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.684 1.593 . . . . 0.0 110.046 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -131.85 146.64 52.24 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 126.435 1.894 . . . . 0.0 111.065 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -138.44 116.22 11.49 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.833 0.349 . . . . 0.0 110.7 175.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -118.84 121.47 40.09 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.346 1.458 . . . . 0.0 113.268 174.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 45.41 20.96 0.06 Allowed 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 118.374 2.731 . . . . 0.0 118.374 172.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.86 -21.16 9.71 Favored Glycine 0 N--CA 1.477 1.369 0 C-N-CA 126.25 1.881 . . . . 0.0 113.26 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -74.97 137.16 41.4 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.007 1.323 . . . . 0.0 108.984 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -117.93 129.79 55.83 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.696 1.598 . . . . 0.0 108.679 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.408 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.99 139.5 50.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 123.96 0.904 . . . . 0.0 109.433 -177.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.0 t -132.53 118.17 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.814 1.246 . . . . 0.0 108.929 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.9 p -121.93 135.33 54.86 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.426 0.691 . . . . 0.0 112.123 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -153.45 -171.08 3.79 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 178.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.69 158.16 44.16 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.096 1.358 . . . . 0.0 108.776 -178.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -112.52 141.34 46.39 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.158 1.383 . . . . 0.0 107.927 176.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.437 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.98 134.47 44.53 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.557 1.143 . . . . 0.0 110.968 -175.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -59.93 123.81 18.22 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.335 1.054 . . . . 0.0 110.597 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -63.11 -12.76 29.46 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 120.155 -1.591 . . . . 0.0 111.832 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -95.63 -68.32 0.81 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.581 1.152 . . . . 0.0 111.597 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.6 p -91.97 -6.45 51.24 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 71.9 m80 53.49 20.43 2.05 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 126.347 1.859 . . . . 0.0 115.061 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.18 146.65 53.2 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.965 1.306 . . . . 0.0 107.66 169.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.6 t -75.5 105.27 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 O-C-N 121.71 -0.618 . . . . 0.0 109.96 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.6 -45.37 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.415 1.486 . . . . 0.0 111.157 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.59 167.29 21.46 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.547 1.139 . . . . 0.0 112.454 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -115.25 140.59 48.97 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.783 1.633 . . . . 0.0 109.038 174.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -122.63 138.87 54.46 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.126 1.771 . . . . 0.0 112.453 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -140.15 131.05 26.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.451 1.1 . . . . 0.0 108.966 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -130.13 126.45 37.56 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 173.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.408 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -128.93 135.81 49.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.899 0.857 . . . . 0.0 108.74 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -128.58 126.86 41.17 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.103 0.961 . . . . 0.0 110.022 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.45 142.86 51.3 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.502 1.921 . . . . 0.0 113.645 -176.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.1 122.02 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.154 -0.967 . . . . 0.0 109.815 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.3 ptp -119.41 115.69 24.62 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.654 1.181 . . . . 0.0 113.16 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 49.49 -76.33 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 127.875 2.47 . . . . 0.0 116.787 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -130.7 12.81 5.36 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.174 2.19 . . . . 0.0 112.097 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -136.58 168.81 18.78 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 120.984 -1.073 . . . . 0.0 109.295 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -122.27 143.53 49.55 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.017 1.327 . . . . 0.0 109.462 175.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -121.7 130.93 53.8 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 126.745 2.018 . . . . 0.0 109.782 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -122.02 130.16 53.05 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 125.102 1.361 . . . . 0.0 109.144 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.91 142.61 36.46 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.845 0.831 . . . . 0.0 109.22 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.4 ttp -137.57 145.53 42.95 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 125.83 1.652 . . . . 0.0 109.315 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 tp -152.04 105.39 3.07 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.115 1.766 . . . . 0.0 110.318 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.2 t -141.96 136.62 30.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.218 1.807 . . . . 0.0 109.953 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.8 tp -59.58 -34.4 72.66 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.045 0.938 . . . . 0.0 111.851 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.0 tp -95.71 -63.48 1.15 Allowed 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.855 1.262 . . . . 0.0 110.975 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 72.9 m -64.25 -37.3 86.98 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -173.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.31 175.16 14.0 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 117.559 1.784 . . . . 0.0 117.559 172.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -111.76 120.81 43.26 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.185 1.394 . . . . 0.0 110.017 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.78 157.22 44.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -150.91 137.82 19.06 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.978 0.911 . . . . 0.0 110.79 174.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -141.89 152.43 43.57 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.019 1.728 . . . . 0.0 111.542 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.46 135.54 40.59 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.786 -0.571 . . . . 0.0 110.547 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.2 mt -122.19 125.42 72.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.836 1.254 . . . . 0.0 110.406 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.469 0.524 0 O-C-N 121.785 -0.572 . . . . 0.0 109.924 174.301 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.19 -34.89 1.09 Allowed Glycine 0 CA--C 1.532 1.103 0 C-N-CA 126.87 2.176 . . . . 0.0 111.358 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -66.15 -18.72 65.52 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.725 -0.867 . . . . 0.0 109.885 169.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 75.0 m -61.63 -26.84 68.25 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.207 1.803 . . . . 0.0 112.84 174.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 m -111.19 139.67 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.319 1.048 . . . . 0.0 111.847 -174.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.6 -40.71 95.99 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.939 1.296 . . . . 0.0 110.467 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -134.31 141.84 47.06 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 127.041 2.136 . . . . 0.0 109.27 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -81.89 123.56 28.95 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.616 0.766 . . . . 0.0 109.057 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 47.29 60.14 15.56 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.726 1.21 . . . . 0.0 113.083 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -62.81 146.45 95.05 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.247 2.632 . . . . 0.0 111.407 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -78.24 145.34 35.53 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.632 -1.292 . . . . 0.0 109.424 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.7 mmm-85 -119.18 28.79 8.03 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -174.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.55 37.25 74.52 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.325 0.488 . . . . 0.0 112.908 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 81.99 7.57 0.98 Allowed 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 128.676 2.791 . . . . 0.0 114.746 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.412 HG22 HD13 ' A' ' 18' ' ' LEU . 95.8 m -70.83 118.68 13.91 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.33 -1.481 . . . . 0.0 111.521 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.9 m -122.36 110.02 15.13 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.671 1.188 . . . . 0.0 110.349 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.412 HD13 HG22 ' A' ' 16' ' ' THR . 5.7 mp -118.83 144.66 46.21 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.315 1.846 . . . . 0.0 113.915 -175.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.24 -7.35 39.21 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.944 2.098 . . . . 0.0 113.585 177.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -148.23 147.87 29.86 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.816 1.246 . . . . 0.0 111.469 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.63 -173.92 18.12 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.912 1.244 . . . . 0.0 115.118 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 m -152.67 128.6 10.29 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.855 2.462 . . . . 0.0 108.446 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -87.95 75.84 8.74 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -175.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.46 -25.54 16.69 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.91 -18.61 62.02 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.98 0.912 . . . . 0.0 113.143 175.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -102.99 -33.71 9.19 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.783 1.233 . . . . 0.0 109.661 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -65.16 111.18 2.82 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.507 -0.745 . . . . 0.0 110.169 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.0 p -90.39 2.82 55.21 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.288 1.035 . . . . 0.0 112.334 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.2 148.98 24.86 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.238 1.399 . . . . 0.0 109.686 -175.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 7.2 t -53.35 166.87 0.23 Allowed 'General case' 0 C--O 1.239 0.527 0 C-N-CA 125.38 1.472 . . . . 0.0 114.136 -177.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.452 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -125.36 -11.59 6.87 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.313 1.045 . . . . 0.0 112.295 172.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.65 -35.23 43.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 119.817 1.19 . . . . 0.0 109.139 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.6 p -131.92 -14.98 3.06 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 79.45 21.19 0.62 Allowed 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -89.58 146.22 24.72 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 119.814 -1.804 . . . . 0.0 113.104 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -121.68 162.34 20.91 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.606 1.562 . . . . 0.0 109.944 174.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.285 4.0 p30 52.9 26.19 4.48 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.134 1.774 . . . . 0.0 114.852 -175.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -123.77 99.61 6.36 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 128.81 2.844 . . . . 0.0 111.448 -177.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.24 150.06 17.97 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 175.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.16 166.17 18.18 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 131.333 3.853 . . . . 0.0 109.346 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.6 mt -128.39 134.06 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 126.002 1.721 . . . . 0.0 106.878 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.437 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -146.95 171.48 15.18 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.267 0.627 . . . . 0.0 111.572 178.425 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.281 0.0 OUTLIER 58.22 13.92 2.56 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 127.292 2.237 . . . . 0.0 115.134 179.121 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -51.95 108.1 0.25 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 127.256 2.223 . . . . 0.0 112.43 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.7 m -107.48 156.15 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.575 1.55 . . . . 0.0 112.515 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tt -139.79 137.76 35.29 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.15 1.38 . . . . 0.0 110.606 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -132.08 146.65 52.19 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 127.138 2.175 . . . . 0.0 111.233 -178.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -139.05 116.35 11.14 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.804 0.335 . . . . 0.0 111.487 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -118.92 121.39 39.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.26 1.424 . . . . 0.0 113.356 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 46.03 20.67 0.08 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 118.372 2.73 . . . . 0.0 118.372 172.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.63 -21.12 9.91 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 126.204 1.859 . . . . 0.0 113.212 -177.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -74.78 136.2 41.68 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.761 1.224 . . . . 0.0 108.781 174.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -118.06 129.82 55.78 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.543 1.537 . . . . 0.0 108.632 176.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.404 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.65 139.2 50.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 123.875 0.87 . . . . 0.0 109.446 -178.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.5 t -132.42 118.2 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 124.995 1.318 . . . . 0.0 109.002 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.8 p -121.96 135.67 54.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.381 0.673 . . . . 0.0 111.743 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -152.23 -172.34 4.2 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.179 -0.95 . . . . 0.0 113.193 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.7 158.18 44.14 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.838 1.255 . . . . 0.0 108.616 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -112.84 141.35 46.75 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.035 1.334 . . . . 0.0 108.069 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.437 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.97 134.73 44.88 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.573 1.149 . . . . 0.0 110.996 -175.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -60.33 123.7 18.05 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.293 1.037 . . . . 0.0 110.721 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -62.94 -13.46 34.88 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.064 -1.647 . . . . 0.0 111.712 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -94.94 -67.91 0.83 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.443 1.097 . . . . 0.0 111.62 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.2 p -92.56 -6.29 49.9 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -177.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 73.3 m80 53.52 20.71 2.18 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.407 1.883 . . . . 0.0 115.045 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.15 146.59 53.28 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 169.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 80.7 t -75.8 104.69 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 O-C-N 121.647 -0.658 . . . . 0.0 109.881 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.9 -45.94 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.678 1.591 . . . . 0.0 111.24 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.14 167.84 21.63 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.615 1.166 . . . . 0.0 112.579 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.53 140.4 49.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.805 1.642 . . . . 0.0 109.129 174.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -122.44 139.83 53.41 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.309 1.844 . . . . 0.0 112.642 -177.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -140.18 133.36 29.65 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.625 1.17 . . . . 0.0 108.909 174.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -132.49 125.89 31.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 173.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.404 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -128.65 135.78 49.76 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -128.94 127.74 42.35 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.199 0.999 . . . . 0.0 110.286 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.81 142.87 50.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.369 1.868 . . . . 0.0 113.753 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -109.98 121.99 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 O-C-N 121.127 -0.983 . . . . 0.0 110.028 175.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.37 115.74 24.74 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.883 1.273 . . . . 0.0 113.903 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.7 t0 52.67 -70.63 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.421 2.688 . . . . 0.0 116.703 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -137.16 8.96 2.97 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.698 1.999 . . . . 0.0 111.956 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.1 170.28 14.22 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 120.815 -1.178 . . . . 0.0 109.213 -175.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -123.35 143.49 50.06 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.088 1.355 . . . . 0.0 109.321 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -121.63 129.38 52.77 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 126.725 2.01 . . . . 0.0 109.271 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -121.19 129.89 53.44 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.924 1.289 . . . . 0.0 109.129 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.89 141.89 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 122.047 0.927 . . . . 0.0 109.519 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.3 ttp -138.1 145.45 41.69 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 125.794 1.638 . . . . 0.0 109.421 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.65 105.66 3.17 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.228 1.811 . . . . 0.0 110.348 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.2 t -142.12 136.71 30.34 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 126.249 1.82 . . . . 0.0 110.015 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.8 tp -59.5 -34.48 72.65 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.227 1.011 . . . . 0.0 111.743 176.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.4 tp -95.65 -63.7 1.13 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.967 1.307 . . . . 0.0 111.04 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.0 m -64.39 -36.91 85.68 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -173.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.62 174.73 13.85 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 117.858 1.903 . . . . 0.0 117.858 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -113.09 118.42 34.72 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.259 1.424 . . . . 0.0 110.191 174.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.77 157.24 44.52 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -150.87 137.75 19.05 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.265 1.026 . . . . 0.0 111.121 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -141.74 152.49 43.86 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.187 1.795 . . . . 0.0 111.693 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.5 133.7 38.74 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.792 -0.567 . . . . 0.0 110.55 174.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.2 mt -122.25 126.84 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.233 1.413 . . . . 0.0 111.124 -177.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.2 p . . . . . 0 N--CA 1.471 0.615 0 O-C-N 121.208 -0.932 . . . . 0.0 109.099 173.155 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.7 -33.81 1.01 Allowed Glycine 0 CA--C 1.531 1.057 0 C-N-CA 126.907 2.194 . . . . 0.0 111.888 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.46 -18.25 65.25 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 118.11 0.955 . . . . 0.0 109.975 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.2 m -61.8 -27.06 68.49 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.925 1.69 . . . . 0.0 112.908 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 m -111.09 139.0 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.69 1.196 . . . . 0.0 111.72 -174.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.04 -38.25 90.25 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.921 -1.112 . . . . 0.0 111.228 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -137.07 144.15 42.98 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.58 1.952 . . . . 0.0 109.369 175.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -81.63 124.64 29.72 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.077 0.951 . . . . 0.0 109.321 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 45.96 59.71 14.88 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 124.944 1.298 . . . . 0.0 113.43 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -63.2 145.14 93.23 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.283 2.656 . . . . 0.0 111.681 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -76.48 143.04 40.74 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.916 -1.115 . . . . 0.0 109.262 176.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.53 31.05 6.76 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -175.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.9 36.7 67.44 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 123.371 0.51 . . . . 0.0 113.146 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 83.19 7.85 0.7 Allowed 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 128.694 2.797 . . . . 0.0 114.779 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.411 HG22 HD13 ' A' ' 18' ' ' LEU . 96.0 m -70.84 117.75 12.75 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.247 -1.533 . . . . 0.0 111.595 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.2 m -121.64 109.8 15.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.48 1.112 . . . . 0.0 110.417 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.411 HD13 HG22 ' A' ' 16' ' ' THR . 5.9 mp -119.28 144.85 46.57 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.312 1.845 . . . . 0.0 113.618 -175.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 12.8 pt-20 -96.13 -2.09 47.17 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.372 1.469 . . . . 0.0 113.128 176.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -148.96 155.19 40.47 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.346 1.058 . . . . 0.0 112.718 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.07 -174.98 15.66 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.676 1.608 . . . . 0.0 114.324 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.4 m -150.18 116.94 5.85 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.472 2.309 . . . . 0.0 108.052 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -74.12 77.71 1.75 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 -173.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 mt -51.44 -30.15 18.5 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.8 mt -70.37 -20.19 62.97 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.861 0.864 . . . . 0.0 113.286 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -101.04 -33.66 10.06 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.161 0.984 . . . . 0.0 109.788 174.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -65.98 109.9 2.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.263 0.483 . . . . 0.0 110.01 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 p -91.06 7.73 38.99 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.237 1.015 . . . . 0.0 112.224 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.67 150.79 26.85 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.29 1.424 . . . . 0.0 109.631 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.1 t -53.56 170.06 0.12 Allowed 'General case' 0 C--O 1.24 0.556 0 C-N-CA 125.785 1.634 . . . . 0.0 114.268 -177.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.44 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.33 -11.58 5.73 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.377 171.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -73.9 -35.36 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 119.702 1.137 . . . . 0.0 109.003 171.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.0 p -131.68 -17.08 2.9 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 82.02 14.31 0.52 Allowed 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -82.24 145.49 30.0 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 119.971 -1.706 . . . . 0.0 113.184 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -119.97 160.66 22.32 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.798 1.639 . . . . 0.0 110.027 175.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.2 26.69 4.1 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.314 1.846 . . . . 0.0 114.934 -175.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.41 98.96 6.17 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 128.751 2.82 . . . . 0.0 111.372 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.49 150.45 19.62 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 176.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.16 166.23 18.07 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 131.283 3.833 . . . . 0.0 108.994 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 88.9 mt -128.78 134.96 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.839 1.656 . . . . 0.0 106.855 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.441 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.64 173.17 12.99 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.278 0.631 . . . . 0.0 111.911 178.578 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.281 0.0 OUTLIER 57.43 16.54 3.28 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.396 2.278 . . . . 0.0 115.184 178.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -53.2 112.99 0.98 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.671 1.988 . . . . 0.0 113.291 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.2 m -107.44 156.16 19.26 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 125.795 1.638 . . . . 0.0 112.104 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -139.69 137.81 35.49 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.724 1.61 . . . . 0.0 109.698 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -132.09 146.63 52.18 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 126.256 1.823 . . . . 0.0 111.451 -178.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -139.22 116.41 11.1 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.753 0.311 . . . . 0.0 111.647 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.85 121.42 39.96 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.049 1.34 . . . . 0.0 113.302 173.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 44.98 20.98 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 118.401 2.741 . . . . 0.0 118.401 172.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.19 -21.16 9.48 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 126.184 1.85 . . . . 0.0 113.253 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -73.75 136.76 43.67 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.95 1.3 . . . . 0.0 108.901 174.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -118.02 129.79 55.79 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.431 1.492 . . . . 0.0 108.704 176.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.14 138.61 52.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 124.056 0.942 . . . . 0.0 109.497 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.8 t -132.46 118.1 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.672 1.189 . . . . 0.0 108.894 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.4 p -121.89 134.99 54.86 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.683 0.793 . . . . 0.0 111.979 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -154.19 -171.27 3.81 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.079 -1.013 . . . . 0.0 113.525 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.67 158.21 44.1 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.844 1.257 . . . . 0.0 109.099 -178.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -112.46 141.33 46.34 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.167 1.387 . . . . 0.0 108.389 177.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.441 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.45 134.78 45.5 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.712 1.205 . . . . 0.0 111.023 -176.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.76 123.4 16.85 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.457 1.103 . . . . 0.0 110.593 177.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -63.06 -13.42 35.67 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.128 -1.607 . . . . 0.0 111.637 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -94.91 -68.13 0.82 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.454 1.102 . . . . 0.0 111.647 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.6 p -92.1 -6.36 51.02 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 73.3 m80 53.67 21.04 2.43 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.374 1.87 . . . . 0.0 114.948 -177.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.11 146.82 52.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.123 1.369 . . . . 0.0 107.572 169.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 80.8 t -75.56 104.81 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 O-C-N 121.502 -0.749 . . . . 0.0 109.986 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.42 -45.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.516 1.526 . . . . 0.0 111.208 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.35 168.75 20.01 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.487 1.115 . . . . 0.0 112.778 -175.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.93 140.2 49.75 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.067 1.747 . . . . 0.0 109.245 174.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -123.06 139.73 53.76 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 126.102 1.761 . . . . 0.0 112.725 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -140.19 133.1 29.26 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.624 1.17 . . . . 0.0 108.703 174.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.4 ' CD2' ' HB3' ' A' ' 19' ' ' GLU . 11.8 t80 -131.98 126.66 34.53 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 174.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.28 135.85 49.3 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -129.22 127.42 41.24 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.146 0.978 . . . . 0.0 109.926 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.29 142.94 50.99 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.387 1.875 . . . . 0.0 113.51 -176.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.3 mt -109.76 121.97 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 O-C-N 121.0 -1.062 . . . . 0.0 109.75 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.43 115.68 24.57 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.811 1.245 . . . . 0.0 114.133 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.2 t0 51.27 -68.62 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 128.483 2.713 . . . . 0.0 117.457 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -135.36 6.23 3.28 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.931 2.092 . . . . 0.0 112.178 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -132.59 170.7 14.81 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.77 -1.206 . . . . 0.0 109.929 -175.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -121.83 143.52 49.36 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 125.039 1.336 . . . . 0.0 109.398 175.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -121.87 130.97 53.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 126.84 2.056 . . . . 0.0 109.461 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -122.45 130.43 53.06 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 124.97 1.308 . . . . 0.0 109.2 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.9 142.98 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 122.078 0.942 . . . . 0.0 109.581 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 53.3 ttp -138.86 145.04 39.51 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 125.871 1.668 . . . . 0.0 109.328 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 tp -151.98 105.27 3.07 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.897 1.679 . . . . 0.0 110.296 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.7 t -141.99 136.81 30.68 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.361 1.864 . . . . 0.0 110.1 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.1 tp -59.16 -34.48 72.14 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.265 1.026 . . . . 0.0 111.817 176.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -96.15 -63.71 1.12 Allowed 'General case' 0 C--O 1.231 0.12 0 C-N-CA 125.021 1.328 . . . . 0.0 111.315 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 75.5 m -63.8 -37.47 87.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -173.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.55 175.27 14.03 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 172.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -112.41 118.7 35.9 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.699 1.6 . . . . 0.0 110.285 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.78 157.24 44.52 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -150.78 137.71 19.11 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.186 0.994 . . . . 0.0 110.86 174.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -141.75 152.47 43.83 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.32 1.848 . . . . 0.0 111.84 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.23 132.59 36.06 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.823 -0.548 . . . . 0.0 110.692 174.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.6 mt -122.22 127.29 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.365 1.466 . . . . 0.0 111.155 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.0 p . . . . . 0 N--CA 1.471 0.616 0 O-C-N 121.224 -0.923 . . . . 0.0 110.271 174.277 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.75 -34.05 1.02 Allowed Glycine 0 CA--C 1.531 1.057 0 C-N-CA 127.021 2.248 . . . . 0.0 111.834 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -66.0 -18.33 65.27 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 118.033 0.917 . . . . 0.0 109.998 169.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.93 -26.77 68.38 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.736 1.614 . . . . 0.0 112.855 175.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 m -111.33 138.79 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.375 1.07 . . . . 0.0 112.197 -174.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.99 -40.19 94.59 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.861 1.265 . . . . 0.0 110.693 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 11' ' ' PRO . 28.7 mtmm -134.7 138.8 44.71 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.626 1.971 . . . . 0.0 108.969 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.09 124.65 29.39 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.693 0.797 . . . . 0.0 109.272 175.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 46.1 59.88 14.83 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 124.844 1.258 . . . . 0.0 113.027 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.404 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 71.7 Cg_endo -62.98 144.51 93.19 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.42 2.747 . . . . 0.0 111.615 -178.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -77.29 144.3 38.21 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.358 -1.464 . . . . 0.0 109.43 175.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.6 mmm-85 -116.92 30.01 7.58 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.11 0.964 . . . . 0.0 113.522 -176.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.33 12.67 13.25 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 126.156 1.836 . . . . 0.0 116.604 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 120.21 -2.49 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.132 1 C-N-CA 132.662 4.385 . . . . 0.0 115.576 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.419 HG22 HD13 ' A' ' 18' ' ' LEU . 88.7 m -65.31 117.47 7.9 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 120.881 -1.137 . . . . 0.0 112.737 -175.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.0 m -122.41 108.71 13.51 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.752 1.221 . . . . 0.0 110.121 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.419 HD13 HG22 ' A' ' 16' ' ' THR . 6.1 mp -118.83 146.63 44.7 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.043 1.737 . . . . 0.0 113.489 -175.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.41 -6.21 44.61 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.403 1.881 . . . . 0.0 113.209 176.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -148.78 152.45 36.57 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.498 1.119 . . . . 0.0 112.591 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.15 -175.77 16.38 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.535 1.541 . . . . 0.0 114.34 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -151.72 117.49 5.45 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.353 2.261 . . . . 0.0 108.337 176.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -74.86 76.71 2.13 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.3 mt -52.05 -30.43 25.66 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -178.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.8 mt -69.49 -16.48 63.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.72 1.208 . . . . 0.0 113.567 176.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -107.89 -30.68 8.36 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.841 1.256 . . . . 0.0 109.982 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -67.7 112.16 4.65 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.982 0.81 . . . . 0.0 109.96 174.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 p -93.28 8.74 39.12 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.6 1.16 . . . . 0.0 112.537 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.21 150.12 25.42 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.175 1.369 . . . . 0.0 109.909 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.67 169.87 0.13 Allowed 'General case' 0 C--O 1.239 0.52 0 C-N-CA 125.955 1.702 . . . . 0.0 114.094 -177.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.443 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -128.59 -12.04 4.95 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 114.529 -1.214 . . . . 0.0 112.584 171.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 36.6 t -72.94 -35.49 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 119.946 1.248 . . . . 0.0 109.043 171.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.6 p -130.77 -17.62 3.17 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.53 16.73 0.48 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.541 1.936 . . . . 0.0 116.059 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -82.88 149.52 27.06 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 119.73 -1.856 . . . . 0.0 112.895 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -125.48 160.98 28.13 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.607 1.563 . . . . 0.0 109.989 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.274 4.0 p30 52.88 26.06 4.37 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.119 1.768 . . . . 0.0 114.551 -174.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -123.15 98.95 6.11 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 128.918 2.887 . . . . 0.0 111.326 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.06 149.42 15.99 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 176.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.33 166.53 17.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 131.02 3.728 . . . . 0.0 109.172 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.8 mt -127.57 134.34 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 125.629 1.572 . . . . 0.0 106.881 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.457 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -149.61 177.81 9.42 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.692 0.797 . . . . 0.0 111.07 178.002 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.1 t30 57.63 20.18 6.07 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.627 1.171 . . . . 0.0 113.479 174.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -61.32 114.68 3.32 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 127.182 2.193 . . . . 0.0 112.833 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.5 m -107.53 156.09 19.38 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.822 1.649 . . . . 0.0 111.783 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -139.63 137.7 35.51 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.581 1.552 . . . . 0.0 109.698 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -131.94 146.63 52.21 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 126.576 1.951 . . . . 0.0 111.097 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -138.95 116.32 11.19 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.764 0.316 . . . . 0.0 110.818 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -118.79 121.43 40.05 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.007 1.323 . . . . 0.0 113.096 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 t70 45.01 20.43 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.31 0 N-CA-C 118.389 2.737 . . . . 0.0 118.389 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.34 -21.03 9.44 Favored Glycine 0 N--CA 1.478 1.439 0 C-N-CA 126.302 1.906 . . . . 0.0 113.271 -176.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -74.55 137.45 42.41 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.242 1.417 . . . . 0.0 108.956 174.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -118.1 129.86 55.79 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.56 1.544 . . . . 0.0 108.735 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.414 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.84 139.1 51.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 C-N-CA 123.844 0.858 . . . . 0.0 109.421 -178.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.49 118.05 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.8 1.24 . . . . 0.0 109.028 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.7 p -121.95 135.3 54.85 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.636 0.774 . . . . 0.0 111.748 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -154.13 -168.53 2.98 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.994 -1.066 . . . . 0.0 113.165 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -141.67 158.34 43.94 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.383 1.073 . . . . 0.0 109.778 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -108.45 138.92 43.94 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 172.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.457 ' CD1' HG22 ' A' ' 42' ' ' THR . 6.0 mp -132.41 131.34 41.69 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.462 1.105 . . . . 0.0 110.41 -175.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.4 t -57.79 124.02 17.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.53 1.132 . . . . 0.0 110.888 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -62.78 -13.82 37.74 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.092 -1.63 . . . . 0.0 111.749 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -94.82 -67.45 0.85 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.358 1.063 . . . . 0.0 111.783 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.6 p -92.6 -6.54 49.27 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.312 70.3 m80 52.54 21.41 1.79 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.399 1.88 . . . . 0.0 114.973 -176.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.19 146.65 52.24 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.186 1.394 . . . . 0.0 107.46 169.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.5 t -75.14 105.38 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 121.593 -0.692 . . . . 0.0 109.847 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.1 mt -60.82 -44.71 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 125.498 1.519 . . . . 0.0 110.794 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -164.67 163.93 21.51 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.764 1.226 . . . . 0.0 111.997 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -109.91 142.74 40.83 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.132 1.373 . . . . 0.0 108.596 173.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -123.81 137.96 54.58 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.854 1.661 . . . . 0.0 111.527 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -138.07 131.54 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.607 1.163 . . . . 0.0 108.77 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -130.9 126.22 35.58 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 174.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.414 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -128.93 135.78 49.49 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -128.55 126.57 40.62 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.017 0.927 . . . . 0.0 109.685 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.74 142.82 51.21 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.576 1.95 . . . . 0.0 113.602 -176.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.3 mt -109.6 121.98 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 O-C-N 121.136 -0.977 . . . . 0.0 109.68 174.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.49 115.69 24.57 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.792 1.237 . . . . 0.0 114.221 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.1 t0 51.84 -69.04 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 128.459 2.704 . . . . 0.0 117.184 175.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -135.79 6.79 3.2 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.917 2.087 . . . . 0.0 112.179 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.92 170.29 15.09 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 120.796 -1.19 . . . . 0.0 109.909 -175.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -121.69 143.46 49.34 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 124.956 1.302 . . . . 0.0 109.194 175.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -122.17 130.68 53.44 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 126.848 2.059 . . . . 0.0 109.562 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -121.81 129.61 52.77 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 125.043 1.337 . . . . 0.0 109.035 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -140.0 143.02 36.26 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 122.066 0.936 . . . . 0.0 109.044 177.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.7 ttp -137.71 145.53 42.65 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 125.732 1.613 . . . . 0.0 109.299 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 tp -151.23 105.79 3.25 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.256 1.823 . . . . 0.0 110.098 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.8 t -142.35 136.01 29.21 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 126.261 1.824 . . . . 0.0 109.764 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.9 tp -59.57 -34.18 72.38 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.073 0.949 . . . . 0.0 111.824 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.5 tp -94.59 -63.36 1.19 Allowed 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.882 1.273 . . . . 0.0 111.55 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 80.4 m -65.77 -38.68 89.71 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.626 1.17 . . . . 0.0 113.494 -173.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.82 174.16 13.59 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 118.309 2.084 . . . . 0.0 118.309 173.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -113.47 116.81 30.18 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.325 1.45 . . . . 0.0 109.894 174.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.74 157.35 44.45 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -150.12 138.97 20.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.211 1.005 . . . . 0.0 111.216 176.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -141.69 152.41 43.85 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.145 1.778 . . . . 0.0 111.589 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.6 m -136.59 133.79 36.72 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.701 -0.625 . . . . 0.0 110.711 174.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.0 mt -122.22 126.54 74.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.306 1.442 . . . . 0.0 110.755 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.8 p . . . . . 0 N--CA 1.47 0.556 0 O-C-N 121.217 -0.927 . . . . 0.0 109.617 173.909 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.72 -34.01 1.02 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 127.041 2.258 . . . . 0.0 111.669 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -66.15 -18.38 65.31 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.732 -0.864 . . . . 0.0 110.054 169.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 84.5 m -62.89 -24.73 67.96 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.959 1.703 . . . . 0.0 112.947 175.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.1 m -113.31 139.86 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.469 1.107 . . . . 0.0 111.827 -174.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -65.45 -38.56 90.19 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.841 -1.162 . . . . 0.0 111.113 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -136.41 143.72 44.1 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.583 1.953 . . . . 0.0 109.373 175.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -81.66 125.42 30.55 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.059 0.943 . . . . 0.0 109.416 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 45.6 59.75 14.44 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.853 1.261 . . . . 0.0 113.077 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -62.47 146.08 95.57 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.2 2.6 . . . . 0.0 111.361 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -76.37 145.64 39.3 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.583 -1.323 . . . . 0.0 109.13 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 -120.87 29.22 7.49 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.99 37.89 72.89 Favored Glycine 0 CA--C 1.536 1.39 0 O-C-N 121.973 -0.454 . . . . 0.0 112.907 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 79.72 9.4 1.51 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 128.396 2.678 . . . . 0.0 114.731 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.437 HG22 HD13 ' A' ' 18' ' ' LEU . 95.2 m -72.22 118.2 14.81 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.214 -1.554 . . . . 0.0 111.375 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.3 m -122.2 109.45 14.5 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.459 1.103 . . . . 0.0 110.552 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.437 HD13 HG22 ' A' ' 16' ' ' THR . 6.8 mp -121.27 149.39 42.95 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.855 1.662 . . . . 0.0 114.093 -174.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.88 1.98 40.49 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.472 2.309 . . . . 0.0 112.824 176.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -141.34 157.5 45.11 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.491 1.516 . . . . 0.0 112.801 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.76 -177.57 33.08 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.116 1.341 . . . . 0.0 116.004 175.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.7 m -147.84 121.79 9.4 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 128.297 2.639 . . . . 0.0 108.57 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -75.06 77.07 2.24 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.5 mt -51.72 -31.16 25.12 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.8 mt -68.43 -17.85 64.3 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.528 1.131 . . . . 0.0 113.393 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -104.24 -33.01 8.84 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.484 1.114 . . . . 0.0 110.135 174.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -66.53 111.48 3.62 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.64 -0.662 . . . . 0.0 110.67 176.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 p -93.64 7.21 45.61 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.699 1.2 . . . . 0.0 112.835 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.41 148.01 23.29 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.468 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.9 t -53.51 166.24 0.31 Allowed 'General case' 0 C--O 1.239 0.515 0 C-N-CA 125.23 1.412 . . . . 0.0 113.979 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.433 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.61 -11.88 6.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.498 1.119 . . . . 0.0 112.702 172.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 36.1 t -72.12 -35.11 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 120.056 1.298 . . . . 0.0 109.025 171.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.7 p -130.74 -15.67 3.44 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t 80.85 21.17 0.42 Allowed 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -91.84 144.27 25.66 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.201 -1.562 . . . . 0.0 113.394 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.8 ttt-85 -120.27 162.57 19.19 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.585 1.554 . . . . 0.0 109.437 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.285 3.4 p30 54.52 20.6 2.91 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 126.168 1.787 . . . . 0.0 114.905 -174.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -119.21 100.78 7.54 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 128.771 2.828 . . . . 0.0 110.462 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.6 ptp -164.69 148.23 8.96 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.22 166.73 19.68 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 131.332 3.853 . . . . 0.0 109.763 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 88.4 mt -127.9 134.9 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.867 1.667 . . . . 0.0 106.539 173.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.448 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -148.72 177.59 9.38 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.655 0.782 . . . . 0.0 111.22 178.119 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.0 t30 58.24 17.78 4.9 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.777 1.231 . . . . 0.0 113.621 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -58.08 111.83 1.32 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 127.224 2.21 . . . . 0.0 112.626 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.5 m -107.47 155.38 20.12 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 125.625 1.57 . . . . 0.0 111.931 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -139.35 137.74 36.03 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.546 1.538 . . . . 0.0 110.149 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -131.99 146.66 52.22 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.482 1.913 . . . . 0.0 111.049 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.81 116.34 11.31 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.74 0.305 . . . . 0.0 110.796 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -118.84 121.42 39.97 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.964 1.306 . . . . 0.0 113.023 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.5 t70 44.98 20.53 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.304 0 N-CA-C 118.432 2.753 . . . . 0.0 118.432 171.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.52 -21.11 9.3 Favored Glycine 0 N--CA 1.477 1.398 0 C-N-CA 126.381 1.943 . . . . 0.0 113.428 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -74.73 137.71 42.25 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.257 1.423 . . . . 0.0 108.987 174.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -117.99 129.9 55.87 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.441 1.496 . . . . 0.0 108.785 176.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.403 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.87 139.21 51.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 123.848 0.859 . . . . 0.0 109.474 -178.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.2 t -132.39 118.17 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 124.913 1.285 . . . . 0.0 109.036 177.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.4 p -122.02 135.1 54.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.529 0.732 . . . . 0.0 112.041 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -153.19 -168.84 3.14 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.104 -0.997 . . . . 0.0 113.507 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -141.75 158.35 43.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.709 1.204 . . . . 0.0 109.353 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -109.91 137.86 47.11 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 105.987 -1.856 . . . . 0.0 105.987 172.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.448 ' CD1' HG22 ' A' ' 42' ' ' THR . 6.1 mp -131.93 132.04 43.2 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.767 1.227 . . . . 0.0 110.603 -174.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.7 t -59.31 125.44 23.65 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.382 1.073 . . . . 0.0 111.036 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -63.47 -13.07 36.85 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.215 -1.553 . . . . 0.0 111.891 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -95.58 -66.36 0.91 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.291 1.036 . . . . 0.0 111.682 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.8 p -94.09 -6.24 45.52 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 -178.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.305 66.2 m80 52.46 20.96 1.6 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.487 1.915 . . . . 0.0 114.974 -176.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.93 146.48 53.56 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.043 1.337 . . . . 0.0 107.502 169.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.8 t -75.41 105.16 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 O-C-N 121.712 -0.618 . . . . 0.0 109.788 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.8 mt -60.08 -44.38 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 125.802 1.641 . . . . 0.0 110.671 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -164.91 163.17 21.01 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.844 1.258 . . . . 0.0 111.999 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -109.96 142.11 41.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.105 1.362 . . . . 0.0 108.843 172.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -122.24 138.55 54.45 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.02 1.728 . . . . 0.0 111.675 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -139.51 130.36 26.14 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.456 1.103 . . . . 0.0 108.939 175.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -129.44 126.84 39.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 173.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.403 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -129.26 135.77 49.21 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -128.7 127.18 41.6 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.093 0.957 . . . . 0.0 110.003 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.32 142.98 50.97 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.428 1.891 . . . . 0.0 113.615 -176.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.11 121.95 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 O-C-N 121.068 -1.02 . . . . 0.0 109.855 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.45 115.78 24.77 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.754 1.222 . . . . 0.0 113.883 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 50.77 -69.58 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.471 2.708 . . . . 0.0 117.469 176.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -135.36 6.47 3.29 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.895 2.078 . . . . 0.0 111.986 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.29 170.23 15.34 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 121.007 -1.058 . . . . 0.0 109.724 -175.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -122.39 143.49 49.63 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.968 1.307 . . . . 0.0 109.365 175.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -121.58 130.42 53.5 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 126.785 2.034 . . . . 0.0 109.612 -178.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -121.87 130.09 53.1 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 125.094 1.358 . . . . 0.0 109.177 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.92 143.27 36.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 122.223 1.011 . . . . 0.0 109.579 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.7 ttp -138.95 144.91 39.22 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.766 1.626 . . . . 0.0 109.237 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 tp -151.76 105.41 3.12 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.102 1.761 . . . . 0.0 110.025 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.7 t -141.6 136.15 30.74 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.267 1.827 . . . . 0.0 109.758 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.9 tp -59.8 -34.19 72.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.017 0.927 . . . . 0.0 111.802 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.1 tp -94.99 -63.99 1.11 Allowed 'General case' 0 C--O 1.231 0.129 0 C-N-CA 125.134 1.373 . . . . 0.0 111.128 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.7 m -64.5 -37.63 88.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.028 0.931 . . . . 0.0 113.396 -173.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.08 175.22 14.0 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 117.61 1.804 . . . . 0.0 117.61 173.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -111.62 120.92 43.7 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 125.127 1.371 . . . . 0.0 110.093 174.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.75 157.17 44.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.436 1.095 . . . . 0.0 113.92 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -151.83 137.71 18.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.963 0.905 . . . . 0.0 110.838 174.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -141.87 152.46 43.63 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.143 1.777 . . . . 0.0 111.615 178.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.87 133.47 37.79 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 121.799 -0.563 . . . . 0.0 110.533 174.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.3 mt -122.22 125.83 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.117 1.367 . . . . 0.0 110.739 -177.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.2 p . . . . . 0 N--CA 1.469 0.497 0 O-C-N 121.437 -0.789 . . . . 0.0 109.703 174.013 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.78 -33.94 1.03 Allowed Glycine 0 CA--C 1.533 1.169 0 C-N-CA 126.851 2.167 . . . . 0.0 111.792 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -66.54 -18.02 65.13 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 117.993 0.896 . . . . 0.0 110.088 169.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.97 -27.43 68.85 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.971 1.708 . . . . 0.0 112.767 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.1 m -110.66 139.27 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.584 1.154 . . . . 0.0 111.686 -175.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -64.5 -40.47 95.71 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.686 1.194 . . . . 0.0 110.617 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -134.27 141.96 47.15 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.97 2.108 . . . . 0.0 109.335 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -81.73 123.68 28.96 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.592 0.757 . . . . 0.0 109.09 174.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 47.1 60.13 15.5 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.72 1.208 . . . . 0.0 113.103 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -62.97 145.04 94.19 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.115 2.543 . . . . 0.0 111.577 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -77.68 143.91 37.76 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.589 -1.319 . . . . 0.0 109.481 175.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -119.04 30.92 6.9 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -175.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.83 37.42 69.54 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 123.474 0.559 . . . . 0.0 113.025 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.34 6.82 0.74 Allowed 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 128.774 2.829 . . . . 0.0 114.743 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.413 HG22 HD13 ' A' ' 18' ' ' LEU . 95.7 m -70.6 117.72 12.5 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.332 -1.48 . . . . 0.0 111.44 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.6 m -121.76 109.08 14.27 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.643 1.177 . . . . 0.0 110.247 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.413 HD13 HG22 ' A' ' 16' ' ' THR . 6.0 mp -118.65 146.36 44.74 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.108 1.763 . . . . 0.0 113.584 -175.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.27 -4.37 42.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.646 1.978 . . . . 0.0 113.032 176.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -144.61 157.41 44.22 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.07 -171.64 19.94 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.766 1.65 . . . . 0.0 115.015 176.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.1 m -148.49 120.98 8.5 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.7 2.4 . . . . 0.0 108.238 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -75.26 77.92 2.37 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -174.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.5 mt -51.66 -29.33 17.51 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -177.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.35 -19.31 63.06 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -102.66 -33.74 9.33 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.491 1.116 . . . . 0.0 109.559 175.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -66.0 109.32 2.51 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.657 0.662 . . . . 0.0 110.084 175.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -90.44 6.9 41.41 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.317 1.047 . . . . 0.0 112.135 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.05 151.3 27.8 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.485 1.516 . . . . 0.0 109.584 -175.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.9 t -53.47 169.55 0.13 Allowed 'General case' 0 C--O 1.239 0.519 0 C-N-CA 125.87 1.668 . . . . 0.0 114.213 -177.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.431 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.09 -11.68 5.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.375 171.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.3 t -73.6 -35.55 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 119.74 1.155 . . . . 0.0 109.136 171.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.0 p -131.41 -16.79 3.03 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 116.245 1.942 . . . . 0.0 116.245 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t 80.8 15.42 0.65 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -82.26 149.25 27.93 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.034 -1.666 . . . . 0.0 112.908 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -124.27 160.65 27.51 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 125.648 1.579 . . . . 0.0 110.165 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.1 27.14 4.3 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.298 1.839 . . . . 0.0 114.908 -175.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.82 99.56 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 128.782 2.833 . . . . 0.0 111.14 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.73 150.03 18.83 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 177.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.48 166.47 17.88 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 131.106 3.762 . . . . 0.0 109.572 178.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.6 mt -127.66 133.37 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 126.206 1.802 . . . . 0.0 107.031 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.453 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -146.57 172.41 13.62 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.671 0.788 . . . . 0.0 111.705 178.731 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.266 0.0 OUTLIER 56.97 12.0 1.1 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.443 2.297 . . . . 0.0 115.213 179.435 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -51.91 112.39 0.77 Allowed 'General case' 0 C--O 1.234 0.261 0 C-N-CA 127.79 2.436 . . . . 0.0 113.706 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.4 m -107.54 156.18 19.28 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.392 1.477 . . . . 0.0 112.5 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -139.66 137.77 35.52 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.908 1.683 . . . . 0.0 109.517 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -132.07 146.66 52.2 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 126.384 1.874 . . . . 0.0 111.114 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -138.78 116.27 11.27 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.851 0.358 . . . . 0.0 110.792 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -118.9 121.5 40.12 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.163 1.385 . . . . 0.0 113.134 175.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 44.9 20.83 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 118.442 2.756 . . . . 0.0 118.442 172.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.05 -20.99 9.63 Favored Glycine 0 N--CA 1.477 1.392 0 C-N-CA 126.329 1.918 . . . . 0.0 113.381 -177.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -74.68 137.53 42.21 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.273 1.429 . . . . 0.0 109.0 174.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -118.06 129.76 55.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.714 1.606 . . . . 0.0 108.841 176.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.83 139.37 50.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 123.869 0.868 . . . . 0.0 109.312 -178.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.3 t -132.51 118.13 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.649 1.18 . . . . 0.0 108.682 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.0 p -122.04 134.25 54.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.742 0.817 . . . . 0.0 111.708 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -154.16 -170.83 3.67 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.177 -0.952 . . . . 0.0 113.265 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.61 158.19 44.15 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.918 1.287 . . . . 0.0 108.718 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -112.23 140.43 46.94 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.157 1.383 . . . . 0.0 108.059 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.453 HD11 HG22 ' A' ' 42' ' ' THR . 6.3 mp -132.18 133.81 44.64 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.698 1.199 . . . . 0.0 110.889 -176.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.0 t -59.07 123.3 16.16 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.401 1.08 . . . . 0.0 110.611 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -63.08 -12.6 28.02 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 120.097 -1.627 . . . . 0.0 111.769 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -95.5 -67.98 0.82 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.503 1.121 . . . . 0.0 111.685 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.51 -6.17 50.28 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.29 70.7 m80 53.37 20.73 2.07 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.45 1.9 . . . . 0.0 115.067 -177.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.91 146.62 52.65 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.041 1.336 . . . . 0.0 107.676 169.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.7 t -75.65 105.1 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 121.617 -0.677 . . . . 0.0 110.038 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.9 mt -61.82 -45.82 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.485 1.514 . . . . 0.0 111.166 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.4 168.55 20.19 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.497 1.119 . . . . 0.0 112.636 -175.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.62 140.4 49.44 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.038 1.735 . . . . 0.0 109.157 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.72 139.32 54.11 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.077 1.751 . . . . 0.0 112.757 -177.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -140.09 131.81 27.37 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.637 1.175 . . . . 0.0 108.836 174.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -131.24 126.5 35.64 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.74 135.84 49.75 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -129.41 126.53 39.01 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.992 0.917 . . . . 0.0 110.076 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.6 142.89 51.24 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.494 1.917 . . . . 0.0 113.522 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.11 121.93 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 120.982 -1.074 . . . . 0.0 109.674 174.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.9 ptp -119.34 115.77 24.82 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.679 1.192 . . . . 0.0 113.596 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 50.25 -72.79 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.213 2.605 . . . . 0.0 116.891 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -132.36 7.69 4.24 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.061 2.144 . . . . 0.0 112.173 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -133.26 170.44 15.44 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.591 -1.318 . . . . 0.0 109.684 -176.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -122.08 143.54 49.46 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.358 1.463 . . . . 0.0 109.247 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -121.98 130.17 53.08 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 126.781 2.033 . . . . 0.0 109.636 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -122.08 130.18 53.04 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 125.002 1.321 . . . . 0.0 109.299 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.89 142.69 36.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.1 0.952 . . . . 0.0 109.385 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.4 ttp -139.09 145.27 39.3 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 125.792 1.637 . . . . 0.0 109.321 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.76 105.42 3.12 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.23 1.812 . . . . 0.0 110.311 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.6 t -142.47 136.93 29.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.16 1.784 . . . . 0.0 110.137 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.1 tp -59.03 -34.12 71.54 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.275 1.03 . . . . 0.0 111.805 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.7 tp -96.64 -63.23 1.16 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 125.159 1.383 . . . . 0.0 111.25 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 69.8 m -64.45 -37.32 87.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -173.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.93 174.94 13.9 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 172.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.43 117.74 32.57 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.148 1.379 . . . . 0.0 110.35 174.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.67 157.21 44.57 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -150.38 137.76 19.63 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.325 1.05 . . . . 0.0 110.906 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -141.76 152.48 43.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.418 1.887 . . . . 0.0 111.911 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -136.5 133.39 36.46 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.486 -0.758 . . . . 0.0 110.577 174.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.2 mt -122.22 126.8 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.297 1.439 . . . . 0.0 110.769 -177.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.1 p . . . . . 0 N--CA 1.469 0.502 0 O-C-N 121.322 -0.861 . . . . 0.0 109.691 174.186 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.98 -35.17 1.05 Allowed Glycine 0 CA--C 1.531 1.072 0 C-N-CA 126.896 2.189 . . . . 0.0 111.401 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -66.24 -17.53 64.8 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.828 -0.807 . . . . 0.0 109.936 169.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.467 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 78.6 m -62.6 -26.95 68.87 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.962 1.705 . . . . 0.0 112.69 174.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 m -110.96 140.51 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 121.177 -0.952 . . . . 0.0 112.217 -174.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -65.31 -41.55 93.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.798 1.239 . . . . 0.0 110.368 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -132.79 140.97 48.25 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.953 2.101 . . . . 0.0 109.248 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -81.7 123.52 28.8 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.65 0.78 . . . . 0.0 109.043 175.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 46.88 60.24 15.2 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 124.808 1.243 . . . . 0.0 113.139 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -62.77 146.69 95.16 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.249 2.633 . . . . 0.0 111.389 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -77.91 145.7 36.01 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.242 -1.537 . . . . 0.0 109.394 175.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -119.21 28.46 8.22 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -174.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.04 44.15 96.47 Favored Glycine 0 CA--C 1.534 1.257 0 O-C-N 121.934 -0.479 . . . . 0.0 112.051 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 m120 67.88 23.68 8.31 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 126.59 1.956 . . . . 0.0 114.452 -179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.432 HG22 HD13 ' A' ' 18' ' ' LEU . 91.6 m -88.5 120.21 29.67 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 120.552 -1.343 . . . . 0.0 110.943 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.3 m -121.89 110.04 15.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.472 1.109 . . . . 0.0 110.589 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.432 HD13 HG22 ' A' ' 16' ' ' THR . 6.0 mp -119.19 145.5 45.97 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.343 1.857 . . . . 0.0 113.577 -175.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.05 -4.44 49.46 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.511 1.924 . . . . 0.0 113.255 176.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -148.24 153.28 38.51 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.231 1.013 . . . . 0.0 112.823 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.83 -175.8 15.97 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.661 1.6 . . . . 0.0 114.42 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.1 m -151.14 118.82 6.11 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.58 2.352 . . . . 0.0 108.307 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -75.73 77.13 2.69 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -174.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.0 mt -52.73 -25.41 11.02 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.4 mt -75.12 -17.39 60.43 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.623 1.169 . . . . 0.0 113.063 176.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -104.47 -32.59 8.93 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.041 1.337 . . . . 0.0 110.013 175.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -65.73 105.1 1.18 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.84 0.745 . . . . 0.0 111.394 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.7 p -81.06 -4.83 56.56 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 121.072 -1.018 . . . . 0.0 112.851 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.03 148.94 20.84 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 125.914 1.721 . . . . 0.0 109.223 -175.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.467 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 8.3 t -53.28 165.55 0.34 Allowed 'General case' 0 C--O 1.239 0.539 0 C-N-CA 125.255 1.422 . . . . 0.0 114.099 -177.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.446 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -124.89 -11.24 7.17 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.337 1.055 . . . . 0.0 112.324 172.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.56 -34.94 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 119.742 1.155 . . . . 0.0 109.001 171.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 p -132.09 -14.94 3.0 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.39 23.38 0.29 Allowed 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -95.31 138.74 32.59 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 119.709 -1.869 . . . . 0.0 113.92 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -113.16 161.59 16.96 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.083 1.753 . . . . 0.0 109.592 174.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.264 4.1 p30 51.76 26.48 3.52 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.48 1.912 . . . . 0.0 115.038 -176.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -123.05 98.82 6.07 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 128.72 2.808 . . . . 0.0 111.093 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.14 149.81 16.17 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 176.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.37 165.93 18.82 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 131.101 3.76 . . . . 0.0 109.044 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.1 mt -127.52 134.38 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -149.13 177.43 9.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.689 0.796 . . . . 0.0 111.231 178.219 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.4 t30 57.91 18.18 4.83 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 124.836 1.255 . . . . 0.0 113.713 174.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -57.71 113.9 2.04 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.115 2.166 . . . . 0.0 112.508 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.9 m -107.54 156.09 19.39 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 125.802 1.641 . . . . 0.0 111.663 176.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -139.97 137.73 34.96 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.517 1.527 . . . . 0.0 109.852 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -132.07 146.64 52.19 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.288 1.835 . . . . 0.0 111.41 -178.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -139.3 116.42 11.06 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 117.912 0.324 . . . . 0.0 111.77 177.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.91 121.43 39.95 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.155 1.382 . . . . 0.0 113.364 173.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 45.18 20.78 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 118.439 2.755 . . . . 0.0 118.439 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.41 -20.93 9.43 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 126.133 1.825 . . . . 0.0 113.181 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -74.08 137.21 43.17 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.919 1.287 . . . . 0.0 108.876 174.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -118.04 129.86 55.82 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 125.427 1.491 . . . . 0.0 108.683 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.13 138.53 52.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 123.979 0.911 . . . . 0.0 109.499 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.45 118.1 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 124.716 1.207 . . . . 0.0 108.964 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -121.99 135.26 54.83 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.656 0.782 . . . . 0.0 111.641 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -153.31 -168.81 3.12 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.991 -1.068 . . . . 0.0 113.037 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -141.74 158.29 43.99 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.534 1.134 . . . . 0.0 110.073 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -108.21 139.21 43.22 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 172.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.46 ' CD1' HG22 ' A' ' 42' ' ' THR . 5.8 mp -132.82 131.63 41.26 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 124.689 1.196 . . . . 0.0 110.28 -175.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.09 123.69 16.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.122 . . . . 0.0 111.245 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -62.6 -13.81 35.72 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 120.158 -1.589 . . . . 0.0 111.72 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -95.22 -66.48 0.91 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.403 1.081 . . . . 0.0 111.859 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.1 p -94.66 -5.58 45.28 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.312 69.5 m80 52.69 21.17 1.78 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.271 1.828 . . . . 0.0 115.067 -177.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.58 147.1 52.43 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 169.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.3 t -74.94 103.77 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.589 -0.695 . . . . 0.0 109.727 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.4 mt -60.68 -45.62 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.542 1.537 . . . . 0.0 110.997 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.49 164.46 24.39 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.758 1.223 . . . . 0.0 111.787 -176.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.3 142.15 45.15 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.312 1.445 . . . . 0.0 108.521 174.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -123.46 138.52 54.57 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.833 1.653 . . . . 0.0 111.677 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -138.86 131.51 28.99 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 124.496 1.118 . . . . 0.0 108.851 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -130.36 126.57 37.45 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 173.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.16 135.79 49.32 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -129.15 126.3 38.96 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.057 0.943 . . . . 0.0 110.002 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.38 142.89 51.31 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.626 1.971 . . . . 0.0 113.691 -176.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.24 121.92 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.117 -0.99 . . . . 0.0 109.822 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.43 115.74 24.71 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.652 1.181 . . . . 0.0 113.432 177.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 50.51 -74.18 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 128.169 2.587 . . . . 0.0 116.654 177.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -131.76 8.11 4.48 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.881 2.072 . . . . 0.0 112.199 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.9 170.34 15.02 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 120.61 -1.306 . . . . 0.0 109.524 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -123.17 143.6 49.9 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.09 1.356 . . . . 0.0 109.161 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -121.98 129.93 52.89 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 126.722 2.009 . . . . 0.0 109.759 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -121.54 130.03 53.27 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 125.019 1.328 . . . . 0.0 109.205 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.97 143.02 36.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.311 1.053 . . . . 0.0 109.391 177.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.1 ttp -138.82 144.55 39.36 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 125.769 1.628 . . . . 0.0 109.151 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.28 105.91 3.25 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.217 1.807 . . . . 0.0 110.119 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 37.7 t -141.87 136.36 30.45 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.284 1.834 . . . . 0.0 109.687 178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.92 -33.99 72.62 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.135 0.974 . . . . 0.0 111.855 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.4 tp -95.5 -63.41 1.16 Allowed 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.858 1.263 . . . . 0.0 111.226 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.1 m -64.67 -38.3 90.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -173.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.09 175.09 13.92 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 117.869 1.908 . . . . 0.0 117.869 173.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -113.82 117.82 32.53 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.316 1.447 . . . . 0.0 110.432 175.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.71 157.17 44.59 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.517 1.127 . . . . 0.0 113.668 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -150.26 137.71 19.73 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.392 1.077 . . . . 0.0 110.982 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -141.85 152.46 43.66 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.331 1.853 . . . . 0.0 111.67 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -135.68 135.73 40.32 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.323 -0.861 . . . . 0.0 110.714 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 9.8 mt -122.16 124.89 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.195 1.398 . . . . 0.0 110.497 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 p . . . . . 0 C--N 1.326 -0.451 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.189 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.84 -33.79 1.04 Allowed Glycine 0 CA--C 1.531 1.078 0 C-N-CA 126.864 2.173 . . . . 0.0 111.878 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.51 -19.41 65.91 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 117.905 0.853 . . . . 0.0 109.928 169.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.1 m -61.68 -25.94 67.72 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.161 1.784 . . . . 0.0 113.25 175.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.1 m -111.97 139.06 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.639 1.176 . . . . 0.0 111.636 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.85 -38.56 91.4 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.894 -1.129 . . . . 0.0 111.135 177.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -136.85 144.14 43.45 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.628 1.971 . . . . 0.0 109.435 175.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -81.8 124.97 30.11 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.032 0.933 . . . . 0.0 109.395 175.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 45.67 59.4 14.92 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 124.937 1.295 . . . . 0.0 113.477 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -62.89 144.54 93.53 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.418 2.745 . . . . 0.0 111.668 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -76.26 143.06 41.18 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.916 -1.115 . . . . 0.0 109.15 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.32 30.9 6.87 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -175.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.62 37.06 66.43 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.431 0.538 . . . . 0.0 113.152 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 83.4 7.13 0.71 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.8 2.84 . . . . 0.0 114.749 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.408 HG22 HD13 ' A' ' 18' ' ' LEU . 95.9 m -70.43 116.16 10.45 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 120.22 -1.55 . . . . 0.0 111.495 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.2 m -120.81 109.92 15.73 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.579 1.151 . . . . 0.0 110.257 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.408 HD13 HG22 ' A' ' 16' ' ' THR . 6.1 mp -119.43 145.33 46.35 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.0 1.72 . . . . 0.0 113.491 -175.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.11 -6.29 42.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.295 1.838 . . . . 0.0 112.975 175.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -142.55 156.77 45.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.437 1.095 . . . . 0.0 113.649 -177.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.35 -166.54 13.34 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.513 1.53 . . . . 0.0 115.748 175.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 m -152.06 131.63 13.06 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.564 2.346 . . . . 0.0 108.118 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -87.76 75.87 8.88 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.59 -25.14 16.13 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.7 mt -72.39 -18.12 61.75 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.1 0.864 . . . . 0.0 112.984 175.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -103.27 -33.51 9.13 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.66 1.184 . . . . 0.0 110.056 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -66.05 111.03 3.17 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.483 0.583 . . . . 0.0 110.0 175.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.2 p -90.48 4.38 51.23 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.225 1.01 . . . . 0.0 112.191 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.46 150.87 27.64 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.477 1.513 . . . . 0.0 109.429 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 t -53.43 169.69 0.12 Allowed 'General case' 0 C--O 1.239 0.522 0 C-N-CA 125.542 1.537 . . . . 0.0 114.249 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.17 -11.75 5.81 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.411 171.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -73.67 -35.62 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 119.758 1.163 . . . . 0.0 109.081 171.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.2 p -131.08 -17.25 3.09 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 81.57 14.9 0.55 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -81.74 148.54 28.89 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.019 -1.676 . . . . 0.0 113.16 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -124.03 162.11 24.13 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.734 1.614 . . . . 0.0 109.806 175.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.284 4.0 p30 52.69 26.51 4.49 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.157 1.783 . . . . 0.0 114.964 -175.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -124.19 100.33 6.66 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 128.825 2.85 . . . . 0.0 111.613 -177.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.68 150.22 17.32 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 176.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.31 167.56 16.76 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 131.333 3.853 . . . . 0.0 110.086 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.8 mt -127.85 134.09 66.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 126.503 1.921 . . . . 0.0 107.081 175.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.448 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.64 173.41 12.77 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.663 0.785 . . . . 0.0 111.822 178.295 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.266 0.0 OUTLIER 56.87 12.22 1.12 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.58 2.352 . . . . 0.0 115.223 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -51.51 112.59 0.78 Allowed 'General case' 0 C--O 1.234 0.258 0 C-N-CA 127.729 2.412 . . . . 0.0 114.088 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.3 m -107.58 156.18 19.31 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.584 1.553 . . . . 0.0 112.642 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tt -139.5 137.77 35.79 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.833 1.653 . . . . 0.0 109.43 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -132.04 146.73 52.25 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 126.509 1.924 . . . . 0.0 111.184 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -138.86 116.25 11.2 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.77 0.319 . . . . 0.0 111.04 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -118.79 121.41 39.98 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.069 1.347 . . . . 0.0 113.093 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 45.03 20.31 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.274 0 N-CA-C 118.496 2.776 . . . . 0.0 118.496 171.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.45 -21.16 9.32 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 126.469 1.985 . . . . 0.0 113.357 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -74.53 137.28 42.34 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.313 1.445 . . . . 0.0 108.999 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -118.03 129.83 55.81 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.631 1.572 . . . . 0.0 108.791 176.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.49 139.68 49.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 123.963 0.905 . . . . 0.0 109.306 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.5 t -132.51 118.04 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.527 1.131 . . . . 0.0 108.521 177.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.3 p -122.06 134.25 54.78 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.891 0.876 . . . . 0.0 111.901 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -154.79 -170.59 3.56 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.128 -0.983 . . . . 0.0 113.164 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.7 158.21 44.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.899 1.279 . . . . 0.0 108.816 -178.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -111.88 140.99 46.08 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.165 1.386 . . . . 0.0 107.909 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.448 HD11 HG22 ' A' ' 42' ' ' THR . 6.3 mp -132.63 134.23 44.62 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.518 1.127 . . . . 0.0 110.958 -175.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.5 122.69 14.64 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.449 1.1 . . . . 0.0 110.428 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -62.32 -13.51 29.53 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.158 -1.589 . . . . 0.0 111.786 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -94.71 -68.2 0.81 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.503 1.121 . . . . 0.0 111.661 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.5 p -92.1 -6.27 51.19 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 73.0 m80 53.22 21.59 2.3 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.272 1.829 . . . . 0.0 115.04 -177.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.75 146.74 51.25 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.274 1.43 . . . . 0.0 107.488 169.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.5 t -75.61 105.73 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 121.521 -0.737 . . . . 0.0 109.927 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.12 -45.31 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.341 1.456 . . . . 0.0 111.095 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.53 167.33 21.55 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.562 1.145 . . . . 0.0 112.54 -175.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -114.76 140.75 48.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.756 1.623 . . . . 0.0 108.964 174.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -123.47 138.64 54.54 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 126.077 1.751 . . . . 0.0 112.354 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -139.76 132.03 28.26 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 124.506 1.122 . . . . 0.0 108.648 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -131.32 126.43 35.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 174.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.33 135.81 50.1 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -128.86 126.76 40.47 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.112 0.965 . . . . 0.0 110.014 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.99 142.89 51.11 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.464 1.906 . . . . 0.0 113.617 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -109.8 121.92 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 O-C-N 120.919 -1.113 . . . . 0.0 109.925 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.4 115.81 24.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.881 1.272 . . . . 0.0 114.213 177.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.0 t0 51.28 -68.7 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 128.605 2.762 . . . . 0.0 117.476 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -135.46 6.1 3.24 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.89 2.076 . . . . 0.0 112.055 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.09 171.29 13.81 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 120.697 -1.252 . . . . 0.0 109.837 -175.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -123.21 143.43 50.03 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 125.029 1.332 . . . . 0.0 109.29 176.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -121.18 130.45 53.71 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 126.899 2.08 . . . . 0.0 109.465 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -122.04 130.33 53.19 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 125.091 1.357 . . . . 0.0 109.189 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.9 142.27 36.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 122.039 0.924 . . . . 0.0 109.458 177.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.0 ttp -138.33 144.94 40.6 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 125.833 1.653 . . . . 0.0 109.461 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.91 105.1 3.06 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.056 1.742 . . . . 0.0 110.256 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.4 t -142.08 136.73 30.44 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.367 1.867 . . . . 0.0 110.077 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.9 tp -59.41 -34.13 72.08 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.123 0.969 . . . . 0.0 111.925 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 tp -96.31 -63.32 1.16 Allowed 'General case' 0 C--O 1.232 0.182 0 C-N-CA 125.027 1.331 . . . . 0.0 111.279 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 80.5 m -63.9 -38.26 90.42 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.894 0.878 . . . . 0.0 113.286 -173.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.16 175.63 14.15 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 117.338 1.695 . . . . 0.0 117.338 173.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -112.56 118.28 34.67 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.747 1.619 . . . . 0.0 110.355 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.77 157.24 44.52 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -150.55 137.75 19.41 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.165 0.986 . . . . 0.0 110.826 174.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -141.86 152.47 43.66 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.156 1.782 . . . . 0.0 111.718 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.03 133.25 37.25 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.819 -0.551 . . . . 0.0 110.59 175.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.7 mt -122.25 128.06 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.306 1.442 . . . . 0.0 111.118 -176.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.1 p . . . . . 0 N--CA 1.471 0.623 0 O-C-N 121.254 -0.904 . . . . 0.0 110.664 175.905 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.844 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.09 -35.33 1.08 Allowed Glycine 0 CA--C 1.532 1.116 0 C-N-CA 126.793 2.14 . . . . 0.0 111.339 -176.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -66.1 -18.58 65.44 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 117.91 0.855 . . . . 0.0 109.961 169.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 67.2 m -61.24 -27.7 68.64 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.229 1.811 . . . . 0.0 112.736 174.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 m -110.34 140.03 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.202 1.001 . . . . 0.0 111.751 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.71 -40.63 95.68 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.889 1.276 . . . . 0.0 110.415 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -134.72 141.51 46.52 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 127.107 2.163 . . . . 0.0 109.317 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -81.4 124.01 29.05 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.624 0.77 . . . . 0.0 109.117 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 46.77 60.34 14.96 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.746 1.218 . . . . 0.0 113.087 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -63.01 144.01 92.07 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.114 2.543 . . . . 0.0 111.291 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -77.0 143.74 39.18 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.491 -1.381 . . . . 0.0 109.458 175.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -116.12 30.86 7.08 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.97 12.03 10.11 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 126.125 1.822 . . . . 0.0 116.704 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 120.98 -0.31 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.121 1 C-N-CA 132.756 4.422 . . . . 0.0 115.689 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.419 HG22 HD13 ' A' ' 18' ' ' LEU . 91.0 m -68.48 117.01 9.69 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.852 -1.155 . . . . 0.0 112.623 -176.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.2 m -122.81 110.19 15.14 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.989 1.316 . . . . 0.0 110.379 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.419 HD13 HG22 ' A' ' 16' ' ' THR . 6.6 mp -121.75 149.23 43.58 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.945 1.698 . . . . 0.0 113.89 -175.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.23 1.96 39.44 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.261 2.224 . . . . 0.0 112.823 175.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -141.48 158.62 43.62 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.246 1.419 . . . . 0.0 113.152 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.94 -175.1 33.48 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 125.184 1.373 . . . . 0.0 116.051 175.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.6 m -146.2 123.24 11.41 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.98 2.512 . . . . 0.0 108.277 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -76.15 78.32 2.97 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -174.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 mt -53.3 -24.92 12.93 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -178.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.0 mt -74.31 -17.18 60.88 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.795 0.838 . . . . 0.0 112.943 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -105.56 -32.6 8.42 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.048 1.339 . . . . 0.0 110.083 176.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -65.64 104.93 1.11 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.958 0.799 . . . . 0.0 110.895 176.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.9 p -81.26 -5.95 58.34 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.392 -0.818 . . . . 0.0 112.394 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.29 150.08 21.63 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.408 1.956 . . . . 0.0 109.428 -176.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.46 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.7 t -52.42 163.74 0.39 Allowed 'General case' 0 C--O 1.238 0.499 0 C-N-CA 125.01 1.324 . . . . 0.0 114.215 -176.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.461 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -121.62 -10.87 8.73 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.234 1.014 . . . . 0.0 111.941 172.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.5 t -75.12 -35.08 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 119.546 1.066 . . . . 0.0 109.078 172.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.8 p -132.71 -13.03 2.94 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 80.48 18.87 0.56 Allowed 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -92.86 139.5 30.47 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 119.617 -1.927 . . . . 0.0 113.938 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -113.01 161.77 16.65 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 125.709 1.604 . . . . 0.0 110.087 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.261 4.1 p30 51.53 27.53 3.93 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 126.46 1.904 . . . . 0.0 115.296 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -122.51 99.26 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 128.471 2.708 . . . . 0.0 110.898 -178.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.62 150.86 19.75 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 177.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.96 165.94 19.29 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 131.399 3.879 . . . . 0.0 109.043 178.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.9 mt -128.48 134.98 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 125.942 1.697 . . . . 0.0 106.89 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.44 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.38 172.18 14.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.312 0.645 . . . . 0.0 111.771 178.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.279 0.0 OUTLIER 58.34 14.46 2.9 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.447 2.299 . . . . 0.0 115.275 178.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -51.59 112.41 0.75 Allowed 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 126.847 2.059 . . . . 0.0 113.241 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.2 m -107.53 156.09 19.38 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 125.463 1.505 . . . . 0.0 112.097 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.32 137.84 34.45 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.626 1.571 . . . . 0.0 110.069 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -131.67 146.68 52.31 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 126.485 1.914 . . . . 0.0 111.161 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.64 116.35 11.45 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.814 0.34 . . . . 0.0 110.867 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -118.96 121.45 39.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.351 1.46 . . . . 0.0 113.319 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 45.56 20.82 0.06 Allowed 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 118.38 2.733 . . . . 0.0 118.38 172.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.75 -21.11 9.82 Favored Glycine 0 N--CA 1.478 1.455 0 C-N-CA 126.272 1.891 . . . . 0.0 113.23 -177.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -75.12 136.6 41.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.011 1.324 . . . . 0.0 108.858 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -117.95 129.86 55.86 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 125.658 1.583 . . . . 0.0 108.683 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.62 139.49 50.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 123.885 0.874 . . . . 0.0 109.33 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.1 t -132.53 118.15 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 124.763 1.225 . . . . 0.0 108.895 177.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.0 p -121.95 134.76 54.83 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.61 0.764 . . . . 0.0 112.063 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -153.41 -170.58 3.64 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.65 158.17 44.16 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.256 1.423 . . . . 0.0 108.68 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -112.72 141.53 46.4 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.141 1.377 . . . . 0.0 108.156 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.44 ' CD1' HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.7 134.67 45.1 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.696 1.198 . . . . 0.0 110.959 -176.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -59.66 122.26 13.67 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.608 1.163 . . . . 0.0 110.811 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -62.28 -13.22 26.16 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 120.014 -1.679 . . . . 0.0 111.667 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -95.87 -63.27 1.17 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.635 1.174 . . . . 0.0 112.477 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.1 p -99.04 -4.53 32.25 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.771 1.396 . . . . 0.0 114.771 -178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 70.9 m80 53.5 20.34 2.03 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 126.498 1.919 . . . . 0.0 115.237 -177.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.06 147.1 52.83 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 169.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 82.9 t -76.01 104.72 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 121.462 -0.774 . . . . 0.0 109.947 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.7 mt -61.75 -46.36 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.737 1.615 . . . . 0.0 111.417 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.68 168.7 21.22 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.472 1.109 . . . . 0.0 112.631 -175.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -117.16 140.15 49.88 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.97 1.708 . . . . 0.0 109.145 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.25 139.11 54.39 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.098 1.759 . . . . 0.0 112.611 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -140.15 130.84 25.75 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.523 1.129 . . . . 0.0 108.873 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -129.86 127.0 39.32 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 173.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.78 135.81 49.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -128.64 127.8 42.9 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.197 0.999 . . . . 0.0 110.005 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.8 142.91 50.83 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.462 1.905 . . . . 0.0 113.577 -176.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -109.92 121.88 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 O-C-N 120.946 -1.096 . . . . 0.0 109.609 174.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.48 115.87 24.93 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.64 1.176 . . . . 0.0 114.097 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.3 t0 51.68 -68.52 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 128.562 2.745 . . . . 0.0 117.388 175.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -135.87 5.81 3.12 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.851 2.06 . . . . 0.0 112.156 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.28 171.05 13.78 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 120.786 -1.196 . . . . 0.0 109.885 -175.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -122.51 143.47 49.69 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.133 1.373 . . . . 0.0 109.009 176.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -122.03 130.05 52.95 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 126.902 2.081 . . . . 0.0 109.63 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -122.3 129.31 52.05 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.939 1.296 . . . . 0.0 109.455 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.84 142.22 36.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 122.218 1.009 . . . . 0.0 109.594 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.2 ttp -137.88 145.76 42.55 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.778 1.631 . . . . 0.0 109.401 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tp -151.8 104.86 3.06 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.388 1.875 . . . . 0.0 110.163 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.8 t -142.19 136.83 30.33 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.293 1.837 . . . . 0.0 110.01 178.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.4 tp -59.1 -34.13 71.65 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.198 0.999 . . . . 0.0 111.824 176.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.2 tp -96.46 -62.77 1.22 Allowed 'General case' 0 C--O 1.232 0.134 0 C-N-CA 125.038 1.335 . . . . 0.0 111.256 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.8 m -64.83 -37.69 88.48 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -173.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.64 174.67 13.8 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 117.642 1.817 . . . . 0.0 117.642 172.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.18 116.59 30.04 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.079 1.351 . . . . 0.0 109.909 174.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.72 157.32 44.48 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -149.44 138.78 21.48 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.26 1.024 . . . . 0.0 111.174 176.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -141.77 152.42 43.75 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.174 1.79 . . . . 0.0 111.733 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.24 134.2 37.84 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.889 -0.507 . . . . 0.0 110.574 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.16 126.22 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.159 1.384 . . . . 0.0 110.618 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 p . . . . . 0 N--CA 1.469 0.487 0 O-C-N 121.386 -0.821 . . . . 0.0 109.68 174.549 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.869 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.89 -34.63 1.04 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 127.047 2.261 . . . . 0.0 111.541 -177.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -66.05 -18.58 65.44 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.653 -0.91 . . . . 0.0 109.879 169.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 94.8 m -61.66 -26.87 68.28 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.847 1.659 . . . . 0.0 112.728 174.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.7 m -111.99 140.31 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.583 1.153 . . . . 0.0 112.182 -174.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -66.25 -37.73 86.21 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.855 -1.153 . . . . 0.0 111.413 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.58 143.73 41.68 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.541 1.936 . . . . 0.0 108.846 175.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -81.33 125.49 30.43 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.14 0.976 . . . . 0.0 109.452 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 45.67 59.66 14.62 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.946 1.298 . . . . 0.0 113.27 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -63.15 147.0 94.53 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.198 2.598 . . . . 0.0 111.361 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -78.95 144.28 34.96 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.176 -1.577 . . . . 0.0 109.448 175.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -119.64 31.41 6.57 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.89 36.94 68.08 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 123.382 0.515 . . . . 0.0 113.186 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 84.22 7.07 0.59 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 128.82 2.848 . . . . 0.0 114.739 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.411 HG22 HD13 ' A' ' 18' ' ' LEU . 95.7 m -69.49 118.49 12.44 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.296 -1.503 . . . . 0.0 111.584 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.7 m -122.99 109.84 14.62 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.65 1.18 . . . . 0.0 110.319 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.411 HD13 HG22 ' A' ' 16' ' ' THR . 5.9 mp -119.22 145.28 46.18 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.312 1.845 . . . . 0.0 113.685 -175.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.92 -6.85 38.19 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.816 2.047 . . . . 0.0 113.584 176.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -147.57 149.49 32.68 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.766 1.227 . . . . 0.0 111.705 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.09 -177.09 17.03 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.154 1.359 . . . . 0.0 114.624 177.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.5 m -151.96 116.46 5.06 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.574 2.35 . . . . 0.0 108.287 176.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.01 77.01 2.21 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 -174.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.6 mt -50.75 -31.07 15.63 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -177.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.4 mt -69.55 -20.44 63.68 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 177.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -100.56 -32.81 10.59 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.076 0.95 . . . . 0.0 109.904 174.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -66.07 110.6 3.01 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.252 0.549 . . . . 0.0 110.343 175.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.5 p -91.99 7.19 43.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.551 1.14 . . . . 0.0 112.484 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.66 149.19 24.89 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.919 1.247 . . . . 0.0 110.08 -176.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.465 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.0 t -53.19 167.49 0.18 Allowed 'General case' 0 C--O 1.238 0.481 0 C-N-CA 125.62 1.568 . . . . 0.0 114.218 -177.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.46 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.67 -12.41 6.04 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.269 172.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -72.99 -35.81 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 CA-C-N 119.889 1.222 . . . . 0.0 109.088 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.0 p -130.75 -16.05 3.38 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 81.55 16.11 0.5 Allowed 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -85.23 147.38 26.61 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.104 -1.622 . . . . 0.0 113.26 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -122.44 160.69 25.0 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.517 1.527 . . . . 0.0 110.146 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.273 3.9 p30 52.86 26.23 4.47 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.372 1.869 . . . . 0.0 114.691 -175.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -122.52 98.53 5.96 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 128.758 2.823 . . . . 0.0 111.254 -177.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.64 149.6 16.89 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 176.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.12 165.23 19.94 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 130.936 3.694 . . . . 0.0 109.561 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -125.76 132.2 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 125.645 1.578 . . . . 0.0 106.796 175.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.439 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -146.07 174.74 11.03 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.783 0.833 . . . . 0.0 110.73 177.751 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.3 t30 57.56 18.07 4.36 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 124.543 1.137 . . . . 0.0 113.485 174.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -60.84 109.92 1.19 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 127.542 2.337 . . . . 0.0 111.88 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.7 m -107.49 156.15 19.29 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.502 1.521 . . . . 0.0 112.12 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -138.49 137.81 37.48 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.573 1.549 . . . . 0.0 110.378 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -131.95 146.69 52.25 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 126.498 1.919 . . . . 0.0 111.536 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -138.92 116.31 11.2 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 117.855 0.298 . . . . 0.0 111.801 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.84 121.54 40.26 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.074 1.35 . . . . 0.0 113.185 173.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.7 t70 45.0 20.56 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 118.52 2.785 . . . . 0.0 118.52 172.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.63 -21.23 9.19 Favored Glycine 0 N--CA 1.479 1.504 0 C-N-CA 126.359 1.933 . . . . 0.0 113.07 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -74.23 136.32 42.73 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.989 1.316 . . . . 0.0 108.752 174.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -117.93 129.84 55.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.759 1.624 . . . . 0.0 108.624 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -122.89 138.22 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 124.164 0.986 . . . . 0.0 109.263 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.1 t -132.44 118.18 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.771 1.228 . . . . 0.0 109.069 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.5 p -122.04 132.97 54.78 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.649 0.78 . . . . 0.0 112.07 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -150.98 -168.16 3.03 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -141.71 158.36 43.91 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.895 1.278 . . . . 0.0 109.911 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -108.38 138.68 44.26 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 106.436 -1.691 . . . . 0.0 106.436 172.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.439 ' CD1' HG22 ' A' ' 42' ' ' THR . 5.9 mp -132.76 131.04 40.73 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.698 1.199 . . . . 0.0 110.241 -175.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.1 t -57.64 123.97 17.45 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.536 1.134 . . . . 0.0 111.137 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -62.92 -12.82 27.85 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 120.177 -1.577 . . . . 0.0 111.855 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -96.05 -66.29 0.92 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.388 1.075 . . . . 0.0 111.943 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.6 p -94.44 -5.75 45.56 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.308 64.8 m80 52.83 19.85 1.43 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 126.453 1.901 . . . . 0.0 114.964 -176.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.27 146.53 54.05 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 170.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.7 t -75.07 103.22 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 O-C-N 121.736 -0.602 . . . . 0.0 109.67 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.3 mt -60.08 -45.34 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.504 1.521 . . . . 0.0 110.909 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.96 164.78 23.1 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.704 1.201 . . . . 0.0 112.03 -176.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.01 145.3 37.25 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.372 1.469 . . . . 0.0 108.699 173.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -127.14 138.72 53.22 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.336 1.454 . . . . 0.0 112.073 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -139.55 132.96 30.13 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.573 1.149 . . . . 0.0 108.666 174.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -131.94 126.24 33.58 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 174.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.92 135.78 49.5 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -130.32 127.5 39.59 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.026 0.931 . . . . 0.0 110.349 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -126.2 142.81 51.38 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.861 2.064 . . . . 0.0 113.706 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.4 mt -114.34 121.46 66.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 171.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . 0.386 0.0 OUTLIER -119.96 121.05 38.12 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 174.55 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.5 t0 54.87 -67.93 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 128.719 2.807 . . . . 0.0 116.889 175.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -138.28 4.04 2.41 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.045 1.738 . . . . 0.0 112.652 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.39 173.38 11.14 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.675 1.125 . . . . 0.0 109.698 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -124.41 143.51 50.58 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 125.612 1.565 . . . . 0.0 109.091 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -122.64 130.93 53.53 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 127.798 2.439 . . . . 0.0 110.008 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -122.15 130.7 53.46 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 125.15 1.38 . . . . 0.0 109.09 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.86 143.1 36.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 122.209 1.004 . . . . 0.0 109.47 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 54.8 ttp -138.62 144.5 39.77 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 125.663 1.585 . . . . 0.0 109.017 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.08 105.05 3.19 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.143 1.777 . . . . 0.0 110.008 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.2 t -141.95 137.09 31.01 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 126.245 1.818 . . . . 0.0 109.906 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.09 -33.36 71.99 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.21 1.004 . . . . 0.0 112.04 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.5 tp -96.68 -63.02 1.18 Allowed 'General case' 0 C--O 1.232 0.153 0 C-N-CA 125.242 1.417 . . . . 0.0 111.314 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.4 m -64.47 -39.45 93.84 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.996 0.918 . . . . 0.0 112.883 -173.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.9 175.78 14.17 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 117.692 1.837 . . . . 0.0 117.692 173.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -113.32 117.89 33.07 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.249 1.42 . . . . 0.0 110.294 174.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.73 157.17 44.58 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -178.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -150.68 137.79 19.3 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.425 1.09 . . . . 0.0 111.139 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -141.73 152.51 43.89 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.261 1.825 . . . . 0.0 111.914 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -136.02 134.26 38.32 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.83 -0.544 . . . . 0.0 111.032 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.1 mt -122.21 127.26 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.665 1.586 . . . . 0.0 110.925 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.0 p . . . . . 0 N--CA 1.469 0.503 0 O-C-N 121.448 -0.782 . . . . 0.0 109.671 174.443 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.06 -35.04 1.07 Allowed Glycine 0 CA--C 1.532 1.145 0 C-N-CA 126.83 2.157 . . . . 0.0 111.318 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.0 -19.09 65.74 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.697 -0.884 . . . . 0.0 109.892 169.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 72.0 m -61.07 -27.6 68.47 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.239 1.816 . . . . 0.0 112.74 174.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 m -110.52 139.99 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.492 1.117 . . . . 0.0 111.781 -174.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.21 -40.77 94.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.856 1.263 . . . . 0.0 110.582 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -134.36 142.05 47.08 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 127.139 2.175 . . . . 0.0 109.31 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -81.98 124.17 29.53 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.562 0.745 . . . . 0.0 109.141 175.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 46.5 59.77 15.4 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.839 1.256 . . . . 0.0 113.237 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -63.03 145.95 94.4 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.289 2.659 . . . . 0.0 111.652 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -77.73 143.86 37.69 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 120.57 -1.331 . . . . 0.0 109.438 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -118.75 31.06 6.85 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -176.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.88 37.22 69.14 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 123.433 0.539 . . . . 0.0 113.025 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.51 7.03 0.7 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 128.78 2.832 . . . . 0.0 114.719 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.42 HG22 HD13 ' A' ' 18' ' ' LEU . 96.9 m -70.87 118.49 13.72 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.257 -1.527 . . . . 0.0 111.562 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.6 m -122.08 109.23 14.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.634 1.174 . . . . 0.0 110.266 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.42 HD13 HG22 ' A' ' 16' ' ' THR . 5.9 mp -118.29 145.94 44.69 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.263 1.825 . . . . 0.0 113.527 -175.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.65 -7.71 40.03 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.238 1.815 . . . . 0.0 112.958 176.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -145.25 156.73 44.01 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.38 -168.28 12.97 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.984 1.754 . . . . 0.0 114.791 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.2 m -152.23 119.82 6.06 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.029 2.131 . . . . 0.0 108.134 177.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -74.95 77.79 2.17 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 115.994 1.849 . . . . 0.0 115.994 -174.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.4 mt -51.45 -29.51 16.45 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -177.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.4 mt -70.77 -19.56 62.7 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -101.83 -33.79 9.67 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.448 1.099 . . . . 0.0 109.483 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -65.78 108.99 2.29 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.652 0.66 . . . . 0.0 110.009 175.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.9 p -87.73 1.2 54.45 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.94 0.896 . . . . 0.0 112.19 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.0 150.58 26.45 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.803 1.668 . . . . 0.0 109.467 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.3 t -53.01 167.5 0.16 Allowed 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.386 1.474 . . . . 0.0 114.346 -177.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.456 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -125.45 -11.55 6.82 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.326 1.051 . . . . 0.0 112.163 171.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.5 t -74.47 -35.61 39.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 119.614 1.097 . . . . 0.0 109.022 172.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.6 p -131.74 -15.72 3.04 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 116.418 2.007 . . . . 0.0 116.418 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.08 16.37 0.55 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 116.261 1.948 . . . . 0.0 116.261 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -84.71 147.25 27.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 119.739 -1.851 . . . . 0.0 113.198 179.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -121.83 160.65 24.23 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 125.538 1.535 . . . . 0.0 110.107 175.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.263 4.0 p30 52.14 26.75 4.07 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.357 1.863 . . . . 0.0 115.087 -175.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -121.74 99.31 6.39 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 128.726 2.81 . . . . 0.0 111.199 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.69 150.16 19.03 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 177.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.21 167.38 16.94 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 131.405 3.882 . . . . 0.0 109.712 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.1 mt -128.18 133.93 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.332 1.853 . . . . 0.0 107.083 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.453 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.16 173.58 12.39 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.664 0.785 . . . . 0.0 111.801 178.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.267 0.0 OUTLIER 55.98 13.18 1.07 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.432 2.293 . . . . 0.0 115.355 179.438 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -53.75 113.82 1.33 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 128.066 2.546 . . . . 0.0 114.351 -177.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.3 m -107.51 156.19 19.25 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 125.517 1.527 . . . . 0.0 112.68 176.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 tt -138.73 137.82 37.11 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.062 1.745 . . . . 0.0 109.167 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -131.81 146.68 52.27 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 126.095 1.758 . . . . 0.0 111.003 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -138.77 116.15 11.19 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.952 0.406 . . . . 0.0 110.473 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -118.87 121.51 40.15 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.351 1.46 . . . . 0.0 113.388 174.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 46.23 20.83 0.09 Allowed 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 171.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.73 -20.87 9.92 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 126.16 1.838 . . . . 0.0 113.24 -177.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -75.71 137.15 40.44 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.736 1.214 . . . . 0.0 109.024 174.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -117.97 129.77 55.8 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.663 1.585 . . . . 0.0 108.712 176.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -124.84 140.07 49.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 O-C-N 121.42 -0.8 . . . . 0.0 109.439 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.5 t -132.47 118.07 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 124.546 1.138 . . . . 0.0 108.648 177.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -122.08 133.9 54.77 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.843 0.857 . . . . 0.0 111.886 177.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -155.76 -170.33 3.38 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.6 158.25 44.07 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.979 1.312 . . . . 0.0 108.956 -178.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -112.12 140.49 46.77 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.297 1.439 . . . . 0.0 108.084 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 42' ' ' THR . 6.3 mp -132.16 134.44 45.4 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.812 1.245 . . . . 0.0 111.022 -176.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -59.49 122.92 15.23 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.546 1.138 . . . . 0.0 110.711 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -62.67 -13.33 30.89 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.052 -1.655 . . . . 0.0 111.808 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -94.83 -67.46 0.85 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.418 1.087 . . . . 0.0 111.706 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.3 p -93.28 -5.96 48.58 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 72.4 m80 53.38 21.52 2.41 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.361 1.865 . . . . 0.0 115.023 -177.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.42 146.78 51.76 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.965 1.306 . . . . 0.0 107.592 169.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.5 t -75.74 105.47 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 121.598 -0.689 . . . . 0.0 109.929 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.5 mt -62.16 -46.01 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.591 1.556 . . . . 0.0 111.176 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.2 168.53 20.57 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.595 1.158 . . . . 0.0 112.744 -175.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -116.43 140.48 49.3 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.041 1.736 . . . . 0.0 109.147 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -124.32 139.18 54.15 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.007 1.723 . . . . 0.0 112.674 -176.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -139.38 131.96 28.8 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.697 1.199 . . . . 0.0 108.631 174.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -131.23 126.68 36.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 173.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.25 135.78 49.24 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -128.78 127.07 41.26 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.917 0.887 . . . . 0.0 110.179 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.88 142.95 51.13 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.52 1.928 . . . . 0.0 113.658 -176.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.02 122.0 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 O-C-N 121.056 -1.028 . . . . 0.0 109.922 174.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.43 115.83 24.89 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.728 1.211 . . . . 0.0 113.833 177.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 51.21 -68.88 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 128.534 2.734 . . . . 0.0 117.471 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -136.36 5.95 3.0 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.993 2.117 . . . . 0.0 112.11 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.44 170.44 14.68 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 120.879 -1.138 . . . . 0.0 109.613 -175.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -122.96 143.49 49.87 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.8 1.24 . . . . 0.0 109.332 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -121.25 130.6 53.75 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 126.934 2.094 . . . . 0.0 109.504 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -122.23 130.11 52.87 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 125.012 1.325 . . . . 0.0 109.235 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.91 142.71 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 122.173 0.987 . . . . 0.0 109.467 177.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.9 ttp -139.02 145.08 39.21 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 125.788 1.635 . . . . 0.0 109.371 177.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 tp -151.62 105.41 3.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.22 1.808 . . . . 0.0 110.286 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.2 t -142.64 137.13 29.77 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 126.23 1.812 . . . . 0.0 110.099 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.7 tp -59.19 -34.13 71.78 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.244 1.018 . . . . 0.0 111.785 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.2 tp -96.49 -63.33 1.15 Allowed 'General case' 0 C--O 1.232 0.161 0 C-N-CA 124.988 1.315 . . . . 0.0 111.276 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 74.6 m -64.29 -37.42 87.42 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -173.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.15 175.16 13.97 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 117.611 1.804 . . . . 0.0 117.611 172.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -113.77 117.02 30.31 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.288 1.435 . . . . 0.0 110.321 175.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.61 157.26 44.55 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -150.46 137.81 19.57 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.383 1.073 . . . . 0.0 110.974 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -141.79 152.5 43.8 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.189 1.796 . . . . 0.0 111.741 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.97 133.92 38.06 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.852 -0.53 . . . . 0.0 110.762 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.9 mt -122.23 125.96 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.172 1.389 . . . . 0.0 110.731 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.2 p . . . . . 0 N--CA 1.47 0.536 0 O-C-N 121.529 -0.732 . . . . 0.0 109.53 174.042 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.831 0 N-CA-C 112.929 0.715 . . . . 0.0 112.929 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.21 -35.04 1.1 Allowed Glycine 0 CA--C 1.531 1.082 0 C-N-CA 126.831 2.158 . . . . 0.0 111.403 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.57 -17.77 65.0 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 117.978 0.889 . . . . 0.0 109.955 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.449 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 66.8 m -61.51 -27.97 68.98 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.053 1.741 . . . . 0.0 112.62 174.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.3 m -110.9 140.22 31.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 124.499 1.12 . . . . 0.0 111.578 -174.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -65.16 -42.23 93.95 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 120.847 -1.158 . . . . 0.0 110.426 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -131.88 142.0 49.55 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.998 1.719 . . . . 0.0 109.69 177.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.06 124.66 29.38 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.004 0.922 . . . . 0.0 109.273 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 46.64 60.02 15.23 Favored Pre-proline 0 N--CA 1.475 0.815 0 C-N-CA 124.776 1.23 . . . . 0.0 113.248 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -62.86 145.27 94.59 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.302 2.668 . . . . 0.0 111.512 -179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -77.29 144.65 37.97 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 120.577 -1.327 . . . . 0.0 109.408 175.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.1 mmm-85 -116.16 28.87 8.32 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -176.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.48 12.15 12.26 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 126.227 1.87 . . . . 0.0 116.378 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 121.22 -3.53 0.0 OUTLIER 'General case' 0 CA--C 1.555 1.139 1 C-N-CA 132.776 4.43 . . . . 0.0 115.528 178.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.432 HG22 HD13 ' A' ' 18' ' ' LEU . 75.4 m -65.18 117.72 8.18 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 120.922 -1.111 . . . . 0.0 112.788 -176.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.9 m -123.18 109.59 14.19 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.868 1.267 . . . . 0.0 110.226 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.432 HD13 HG22 ' A' ' 16' ' ' THR . 6.6 mp -121.38 149.55 42.81 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.931 1.692 . . . . 0.0 113.93 -175.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.53 1.93 38.55 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 127.425 2.29 . . . . 0.0 112.726 175.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -141.38 158.97 43.17 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.349 1.46 . . . . 0.0 113.202 -177.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.88 -176.0 35.84 Favored Glycine 0 CA--C 1.536 1.359 0 C-N-CA 125.273 1.416 . . . . 0.0 115.987 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.5 m -146.01 122.5 11.04 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 127.873 2.469 . . . . 0.0 108.425 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -74.94 76.51 2.17 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -174.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.2 mt -51.77 -29.48 19.02 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.0 mt -70.19 -20.22 63.13 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.398 1.079 . . . . 0.0 113.229 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -101.68 -32.27 10.4 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.98 0.912 . . . . 0.0 110.35 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -66.17 109.71 2.73 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.141 0.495 . . . . 0.0 109.801 175.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 23.1 p -89.2 4.29 49.12 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.314 1.045 . . . . 0.0 112.199 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.12 149.82 26.25 Favored Glycine 0 CA--C 1.532 1.11 0 C-N-CA 125.526 1.536 . . . . 0.0 109.813 -175.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.449 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.5 t -53.62 167.82 0.21 Allowed 'General case' 0 C--O 1.239 0.509 0 C-N-CA 125.532 1.533 . . . . 0.0 114.218 -177.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.46 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -125.59 -11.56 6.74 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.277 1.031 . . . . 0.0 112.168 172.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.8 t -74.19 -35.39 40.49 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 119.735 1.152 . . . . 0.0 109.071 171.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 p -131.98 -14.76 3.06 Favored 'General case' 0 CA--C 1.553 1.064 0 N-CA-C 116.505 2.039 . . . . 0.0 116.505 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 80.09 17.74 0.68 Allowed 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -87.97 144.12 26.72 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 119.667 -1.895 . . . . 0.0 113.39 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -118.31 160.78 21.05 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.715 1.606 . . . . 0.0 110.206 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.265 4.0 p30 52.28 26.56 4.1 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.531 1.932 . . . . 0.0 115.023 -176.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -121.75 98.71 6.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 128.565 2.746 . . . . 0.0 111.143 -177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.75 150.92 19.57 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 176.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.45 165.98 18.78 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 131.364 3.866 . . . . 0.0 109.092 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.3 mt -128.58 134.8 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 125.92 1.688 . . . . 0.0 106.876 176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.438 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.41 172.41 13.97 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.285 0.634 . . . . 0.0 111.778 178.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER 58.58 14.43 3.06 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 127.462 2.305 . . . . 0.0 115.151 178.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -51.72 112.06 0.7 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.839 2.055 . . . . 0.0 113.217 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.0 m -107.46 156.04 19.39 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 125.429 1.492 . . . . 0.0 112.13 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.17 137.85 34.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.679 1.591 . . . . 0.0 110.035 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -131.84 146.65 52.25 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 126.473 1.909 . . . . 0.0 111.029 -179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -138.5 116.27 11.49 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 120.865 0.364 . . . . 0.0 110.745 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -118.93 121.4 39.87 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.349 1.46 . . . . 0.0 113.247 174.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.2 t70 45.6 20.89 0.07 Allowed 'General case' 0 CA--C 1.559 1.293 0 N-CA-C 118.37 2.73 . . . . 0.0 118.37 172.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.69 -21.06 9.88 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 126.196 1.855 . . . . 0.0 113.203 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -75.03 136.95 41.2 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.015 1.326 . . . . 0.0 108.951 174.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -118.06 129.78 55.77 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 125.725 1.61 . . . . 0.0 108.554 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.408 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -124.0 139.33 50.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 C-N-CA 123.865 0.866 . . . . 0.0 109.44 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.49 118.18 34.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 124.844 1.258 . . . . 0.0 108.887 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.0 p -122.08 135.07 54.77 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.505 0.722 . . . . 0.0 112.049 177.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -153.55 -170.8 3.7 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.67 158.13 44.2 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.16 1.384 . . . . 0.0 108.68 -178.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -112.78 141.32 46.72 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.082 1.353 . . . . 0.0 108.176 176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.438 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.5 134.51 45.1 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.758 1.223 . . . . 0.0 110.896 -175.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.4 t -59.75 122.61 14.61 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.499 1.12 . . . . 0.0 110.738 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.3 tptt -62.23 -13.26 26.15 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 120.055 -1.653 . . . . 0.0 111.685 177.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -95.53 -65.8 0.95 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 124.712 1.205 . . . . 0.0 112.082 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.1 p -95.64 -5.25 42.85 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.878 1.436 . . . . 0.0 114.878 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.303 73.0 m80 53.35 20.53 1.99 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.43 1.892 . . . . 0.0 115.226 -177.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.35 146.63 53.08 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 107.513 -1.292 . . . . 0.0 107.513 170.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 81.1 t -75.81 104.87 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 121.556 -0.715 . . . . 0.0 109.858 177.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.8 mt -61.75 -46.28 96.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 125.617 1.567 . . . . 0.0 111.315 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.84 168.59 21.1 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.573 1.149 . . . . 0.0 112.642 -175.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -117.04 140.06 49.94 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.952 1.701 . . . . 0.0 109.194 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.06 139.14 54.39 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 126.139 1.776 . . . . 0.0 112.614 -176.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -140.17 131.27 26.36 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.552 1.141 . . . . 0.0 108.945 174.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -130.3 126.64 37.7 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 173.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.408 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -129.04 135.86 49.5 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -128.49 127.37 42.31 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.239 1.016 . . . . 0.0 110.021 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.92 142.89 51.13 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 126.524 1.93 . . . . 0.0 113.588 -176.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.9 mt -109.91 121.99 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 O-C-N 121.047 -1.033 . . . . 0.0 109.843 174.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.0 ptp -119.41 115.72 24.66 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.62 1.168 . . . . 0.0 113.508 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 50.11 -73.17 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 128.206 2.602 . . . . 0.0 116.916 177.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -131.75 7.23 4.41 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.922 2.089 . . . . 0.0 112.27 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -132.39 170.43 15.11 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 120.771 -1.206 . . . . 0.0 109.766 -176.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -123.0 143.46 49.91 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 125.045 1.338 . . . . 0.0 109.25 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -121.55 131.04 53.91 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 126.9 2.08 . . . . 0.0 109.654 -178.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -122.38 129.96 52.63 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 124.981 1.312 . . . . 0.0 109.079 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.94 142.66 36.39 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 121.927 0.87 . . . . 0.0 109.065 177.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.0 ttp -137.72 145.92 43.09 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 125.782 1.633 . . . . 0.0 109.362 177.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.51 105.2 3.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.374 1.87 . . . . 0.0 110.223 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.5 t -142.17 136.58 30.12 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 126.162 1.785 . . . . 0.0 110.035 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 tp -58.86 -34.28 71.42 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 124.166 0.986 . . . . 0.0 111.781 176.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.2 tp -96.09 -63.93 1.1 Allowed 'General case' 0 C--O 1.232 0.16 0 C-N-CA 125.049 1.34 . . . . 0.0 111.22 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 70.3 m -64.49 -36.5 84.4 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 124.167 0.987 . . . . 0.0 113.6 -172.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.99 174.0 13.63 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 117.899 1.92 . . . . 0.0 117.899 172.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -113.04 116.23 29.59 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.351 1.46 . . . . 0.0 110.027 174.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.7 157.3 44.5 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -149.47 138.89 21.52 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.349 1.06 . . . . 0.0 111.156 176.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -141.74 152.46 43.83 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.037 1.735 . . . . 0.0 111.616 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.32 134.36 37.86 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.733 -0.605 . . . . 0.0 110.579 174.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.1 mt -122.12 126.07 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 125.174 1.39 . . . . 0.0 110.721 -177.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.3 p -82.68 132.75 35.17 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.642 -0.661 . . . . 0.0 109.76 174.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.31 -177.45 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.705 1.202 . . . . 0.0 113.08 -176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 75.9 mt -134.97 162.99 54.45 Favored Pre-proline 0 CA--C 1.543 0.691 0 C-N-CA 127.196 2.198 . . . . 0.0 110.437 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -60.3 -17.45 46.89 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 123.131 2.554 . . . . 0.0 113.896 178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -73.75 -2.9 25.33 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.547 1.539 . . . . 0.0 112.905 174.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.2 t0 51.45 53.92 14.08 Favored Pre-proline 0 CA--C 1.557 1.239 0 C-N-CA 127.34 2.256 . . . . 0.0 114.918 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -75.77 -24.35 11.72 Favored 'Trans proline' 0 C--N 1.357 0.979 0 C-N-CA 123.577 2.851 . . . . 0.0 115.212 -177.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.1 mtt180 48.07 31.32 2.42 Favored 'General case' 0 N--CA 1.488 1.435 0 C-N-CA 126.859 2.064 . . . . 0.0 115.102 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 . . . . . 0 N--CA 1.476 0.848 0 C-N-CA 126.571 1.948 . . . . 0.0 113.3 -177.891 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.459 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.83 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.14 -34.9 1.09 Allowed Glycine 0 CA--C 1.532 1.106 0 C-N-CA 126.843 2.163 . . . . 0.0 111.48 -176.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -66.86 -18.02 65.17 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.631 -0.923 . . . . 0.0 109.96 169.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.454 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 66.7 m -60.81 -28.91 69.14 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.873 1.669 . . . . 0.0 112.448 174.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.3 m -110.1 139.75 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.678 1.191 . . . . 0.0 111.895 -174.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -64.77 -40.76 95.79 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.731 1.212 . . . . 0.0 110.641 177.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -133.81 141.72 47.56 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.013 2.125 . . . . 0.0 109.276 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -81.8 123.65 28.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.502 0.721 . . . . 0.0 109.116 174.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 47.17 59.97 15.73 Favored Pre-proline 0 N--CA 1.476 0.864 0 C-N-CA 124.7 1.2 . . . . 0.0 113.173 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -63.07 145.51 94.04 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.146 2.564 . . . . 0.0 111.495 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -77.73 143.7 37.82 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 120.568 -1.333 . . . . 0.0 109.444 175.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.7 mmm180 -115.99 30.86 7.08 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.95 12.33 10.77 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 126.17 1.843 . . . . 0.0 116.578 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 121.94 -3.73 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.092 1 C-N-CA 132.725 4.41 . . . . 0.0 115.614 178.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.419 HG22 HD13 ' A' ' 18' ' ' LEU . 86.5 m -64.75 116.98 6.83 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 120.904 -1.123 . . . . 0.0 112.731 -176.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 70.0 m -122.89 109.74 14.54 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.859 1.264 . . . . 0.0 110.212 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.419 HD13 HG22 ' A' ' 16' ' ' THR . 6.6 mp -121.26 149.33 43.03 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.989 1.716 . . . . 0.0 113.843 -175.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.17 0.89 38.45 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 127.313 2.245 . . . . 0.0 112.742 175.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -141.46 159.09 42.94 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 125.283 1.433 . . . . 0.0 113.205 -177.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.92 -175.03 33.45 Favored Glycine 0 CA--C 1.536 1.383 0 C-N-CA 125.245 1.402 . . . . 0.0 115.956 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.8 m -146.53 122.28 10.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.844 2.457 . . . . 0.0 108.406 178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -75.82 77.47 2.75 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 116.092 1.886 . . . . 0.0 116.092 -174.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.6 mt -51.5 -29.39 16.47 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 -177.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.1 mt -70.53 -19.99 62.86 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -101.34 -33.72 9.91 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.31 1.044 . . . . 0.0 109.498 174.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -65.63 109.42 2.39 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 121.653 -0.655 . . . . 0.0 110.097 175.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.9 p -90.57 6.64 42.85 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.208 1.003 . . . . 0.0 112.218 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.61 150.36 26.62 Favored Glycine 0 CA--C 1.532 1.121 0 C-N-CA 125.262 1.411 . . . . 0.0 109.798 -175.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.6 t -53.36 168.7 0.14 Allowed 'General case' 0 C--O 1.238 0.464 0 C-N-CA 125.619 1.568 . . . . 0.0 114.255 -177.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.459 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.52 -11.63 6.2 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.84 -1.073 . . . . 0.0 112.227 171.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.3 t -74.14 -35.77 41.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-N 119.647 1.112 . . . . 0.0 109.026 171.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.3 p -131.35 -16.44 3.1 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 116.287 1.958 . . . . 0.0 116.287 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.29 16.42 0.52 Allowed 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -84.27 146.01 28.0 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 119.719 -1.863 . . . . 0.0 113.15 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.6 ttt180 -120.77 160.68 22.87 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 125.684 1.594 . . . . 0.0 110.117 175.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.26 26.66 4.13 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.387 1.875 . . . . 0.0 114.827 -176.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.2 98.91 6.15 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 128.829 2.851 . . . . 0.0 111.33 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.88 150.52 18.99 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 176.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.56 165.77 19.28 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 131.324 3.85 . . . . 0.0 109.322 178.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.0 mt -127.93 134.4 65.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 C-N-CA 125.949 1.7 . . . . 0.0 106.879 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.444 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.46 172.77 13.42 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.38 0.672 . . . . 0.0 111.71 178.657 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.278 0.0 OUTLIER 57.92 15.76 3.28 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 127.305 2.242 . . . . 0.0 114.952 178.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -54.17 113.02 1.09 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.909 2.084 . . . . 0.0 113.643 -178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.0 m -107.5 156.11 19.33 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.367 1.467 . . . . 0.0 112.325 176.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -138.74 137.75 37.03 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.774 1.63 . . . . 0.0 109.707 177.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.3 tttm -132.03 146.63 52.19 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 126.53 1.932 . . . . 0.0 111.18 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -138.66 116.26 11.36 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.793 0.33 . . . . 0.0 110.951 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -118.86 121.38 39.87 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.101 1.36 . . . . 0.0 113.066 175.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 45.05 20.35 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 118.507 2.78 . . . . 0.0 118.507 171.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.37 -21.34 9.31 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 126.388 1.947 . . . . 0.0 113.293 -176.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -74.53 136.94 42.15 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.19 1.396 . . . . 0.0 109.01 174.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -117.96 129.88 55.87 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.572 1.549 . . . . 0.0 108.771 176.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.412 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.65 139.71 49.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 C-N-CA 123.911 0.884 . . . . 0.0 109.448 -178.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.7 t -132.44 118.13 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 124.885 1.274 . . . . 0.0 108.781 177.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.5 p -122.0 134.98 54.81 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.617 0.767 . . . . 0.0 112.09 177.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -154.34 -170.4 3.53 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.674 0.991 . . . . 0.0 113.674 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.61 158.22 44.11 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.053 1.341 . . . . 0.0 108.822 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 48.7 m-70 -112.3 141.44 46.02 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.138 1.375 . . . . 0.0 108.165 176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.444 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.79 134.36 44.6 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.755 1.222 . . . . 0.0 111.06 -175.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.1 t -59.54 123.28 16.35 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.5 1.12 . . . . 0.0 110.699 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -62.84 -13.52 34.76 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 120.079 -1.638 . . . . 0.0 111.725 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -94.92 -67.76 0.84 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.433 1.093 . . . . 0.0 111.69 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.3 p -92.82 -6.04 49.74 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.301 73.3 m80 53.42 20.72 2.1 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.356 1.862 . . . . 0.0 115.166 -177.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.58 146.73 52.81 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.889 1.276 . . . . 0.0 107.604 169.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.4 t -75.7 105.07 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 O-C-N 121.585 -0.697 . . . . 0.0 109.902 177.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.3 mt -61.9 -45.91 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 125.513 1.525 . . . . 0.0 111.246 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.1 168.36 21.0 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.507 1.123 . . . . 0.0 112.691 -175.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -116.49 140.26 49.56 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.961 1.704 . . . . 0.0 109.116 174.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.63 138.83 54.47 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.104 1.762 . . . . 0.0 112.651 -176.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -139.81 131.2 26.85 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.528 1.131 . . . . 0.0 108.877 174.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -130.54 126.64 37.3 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 106.757 -1.571 . . . . 0.0 106.757 173.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.412 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -128.91 135.86 49.62 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -128.27 127.4 42.73 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.11 0.964 . . . . 0.0 109.811 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.31 142.93 50.99 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 126.478 1.911 . . . . 0.0 113.52 -176.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.9 mt -109.66 121.92 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 O-C-N 120.969 -1.082 . . . . 0.0 109.794 174.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.75 24.72 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.749 1.22 . . . . 0.0 114.218 177.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t0 51.6 -68.88 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 128.494 2.717 . . . . 0.0 117.333 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -135.44 6.0 3.24 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.881 2.072 . . . . 0.0 112.195 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.69 170.86 14.21 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.779 -1.201 . . . . 0.0 109.872 -175.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -122.29 143.48 49.59 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.961 1.304 . . . . 0.0 109.286 175.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -121.79 131.12 53.89 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 126.957 2.103 . . . . 0.0 109.575 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -122.45 130.08 52.7 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 124.98 1.312 . . . . 0.0 109.043 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.89 142.54 36.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.885 0.85 . . . . 0.0 109.13 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.4 ttp -137.57 145.74 43.22 Favored 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 125.863 1.665 . . . . 0.0 109.298 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.5 104.99 3.12 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 126.388 1.875 . . . . 0.0 110.14 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.3 t -142.33 136.84 30.09 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.178 1.791 . . . . 0.0 110.03 178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.7 tp -58.99 -33.92 71.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.221 1.008 . . . . 0.0 111.797 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.0 tp -96.82 -63.29 1.15 Allowed 'General case' 0 C--O 1.233 0.204 0 C-N-CA 125.132 1.373 . . . . 0.0 111.288 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 74.4 m -64.33 -37.54 87.87 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -173.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.89 174.59 13.77 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 117.657 1.823 . . . . 0.0 117.657 172.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -113.24 115.96 29.02 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 125.272 1.429 . . . . 0.0 109.931 174.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.72 157.28 44.51 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -177.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -149.21 139.2 22.05 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.339 1.056 . . . . 0.0 111.062 176.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -141.7 152.49 43.92 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.076 1.75 . . . . 0.0 111.628 178.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.63 133.93 36.8 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.701 -0.624 . . . . 0.0 110.658 174.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.4 mt -122.25 126.33 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 125.225 1.41 . . . . 0.0 110.829 -177.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.4 p -82.89 134.36 35.09 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 121.362 -0.837 . . . . 0.0 109.9 174.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 pp -134.42 179.0 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.664 1.186 . . . . 0.0 113.47 -175.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 62.5 mt -139.5 161.64 55.78 Favored Pre-proline 0 CA--C 1.545 0.777 0 C-N-CA 127.267 2.227 . . . . 0.0 109.943 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -61.27 -18.01 56.25 Favored 'Trans proline' 0 CA--C 1.543 0.929 0 C-N-CA 123.079 2.519 . . . . 0.0 113.976 178.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -75.5 -1.86 26.18 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 125.427 1.491 . . . . 0.0 113.069 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 49.3 t0 51.92 56.55 15.94 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 127.103 2.161 . . . . 0.0 114.805 -178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -74.17 -23.99 15.16 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 122.97 2.447 . . . . 0.0 112.819 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 37.34 40.61 0.21 Allowed 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 128.442 2.697 . . . . 0.0 115.867 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 . . . . . 0 N--CA 1.475 0.796 0 C-N-CA 127.17 2.188 . . . . 0.0 113.612 -178.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.81 -33.61 1.03 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 126.943 2.211 . . . . 0.0 111.881 -177.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.58 -18.14 65.2 Favored 'General case' 0 CA--C 1.549 0.922 0 CA-C-N 118.069 0.934 . . . . 0.0 110.031 169.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 70.8 m -61.85 -27.42 68.77 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.837 1.655 . . . . 0.0 112.797 175.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 m -111.04 138.89 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 124.716 1.206 . . . . 0.0 111.805 -174.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -64.79 -37.95 89.34 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.998 -1.064 . . . . 0.0 111.268 177.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -137.25 143.96 42.51 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.618 1.967 . . . . 0.0 109.444 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -81.4 125.0 29.88 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.946 0.898 . . . . 0.0 109.379 175.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 45.99 59.65 14.99 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.896 1.279 . . . . 0.0 113.215 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -63.13 144.99 93.46 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.18 2.587 . . . . 0.0 111.549 -179.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -76.96 143.76 39.25 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 120.471 -1.393 . . . . 0.0 109.462 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.27 31.09 6.78 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -175.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.79 39.6 77.61 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 123.428 0.537 . . . . 0.0 112.876 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 78.84 13.27 1.31 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 128.298 2.639 . . . . 0.0 114.624 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.407 HG22 HD13 ' A' ' 18' ' ' LEU . 97.7 m -76.46 117.98 18.67 Favored 'General case' 0 N--CA 1.481 1.125 0 O-C-N 120.325 -1.485 . . . . 0.0 111.152 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 86.1 m -122.26 110.05 15.22 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.7 1.2 . . . . 0.0 110.401 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.407 HD13 HG22 ' A' ' 16' ' ' THR . 5.9 mp -119.0 145.72 45.61 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.384 1.873 . . . . 0.0 113.941 -175.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.29 -3.73 40.03 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.994 2.118 . . . . 0.0 113.453 176.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.7 m-20 -145.93 156.04 43.26 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.725 1.21 . . . . 0.0 112.381 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 109.46 -175.51 18.93 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.26 1.409 . . . . 0.0 115.232 176.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 m -149.08 119.23 7.22 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 127.821 2.448 . . . . 0.0 108.261 177.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.1 77.32 2.26 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -174.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.8 mt -51.2 -29.87 15.41 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.8 mt -70.77 -20.52 62.6 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 177.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.0 t30 -100.03 -33.62 10.41 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.964 0.905 . . . . 0.0 109.702 174.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -65.78 109.8 2.59 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 118.235 0.47 . . . . 0.0 110.013 175.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 p -91.12 7.53 40.1 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.317 1.047 . . . . 0.0 112.248 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.14 150.79 27.13 Favored Glycine 0 CA--C 1.532 1.151 0 C-N-CA 125.295 1.426 . . . . 0.0 109.63 -175.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.69 170.13 0.12 Allowed 'General case' 0 C--O 1.238 0.49 0 C-N-CA 125.692 1.597 . . . . 0.0 114.17 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.429 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.62 -11.65 5.55 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.718 -1.128 . . . . 0.0 112.41 171.48 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.1 t -73.34 -35.27 45.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 CA-C-N 119.731 1.15 . . . . 0.0 108.979 171.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.5 p -131.7 -16.82 2.93 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 116.332 1.975 . . . . 0.0 116.332 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t 81.75 15.19 0.52 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.502 2.038 . . . . 0.0 116.502 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -83.51 145.28 29.0 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.003 -1.686 . . . . 0.0 113.195 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.9 ttt180 -119.51 161.04 21.25 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 125.685 1.594 . . . . 0.0 110.251 175.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.08 26.52 3.86 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 126.465 1.906 . . . . 0.0 114.914 -176.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.27 98.83 6.11 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 128.744 2.818 . . . . 0.0 111.228 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.62 150.16 19.14 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.69 165.75 18.65 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 131.162 3.785 . . . . 0.0 109.495 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.0 mt -127.44 133.58 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 126.07 1.748 . . . . 0.0 106.918 176.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.444 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -146.09 170.3 16.95 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.469 0.707 . . . . 0.0 111.304 178.542 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.273 0.0 OUTLIER 58.02 12.43 1.8 Allowed 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 127.171 2.189 . . . . 0.0 115.141 179.261 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -51.89 109.6 0.38 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 127.176 2.191 . . . . 0.0 112.649 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 64.8 m -107.52 156.1 19.36 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.68 1.592 . . . . 0.0 112.397 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.4 tt -139.0 137.74 36.61 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 125.578 1.551 . . . . 0.0 110.072 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -131.44 146.62 52.34 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 126.586 1.954 . . . . 0.0 111.18 -179.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.49 116.36 11.57 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 120.865 0.364 . . . . 0.0 110.774 175.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -118.98 121.41 39.86 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 125.473 1.509 . . . . 0.0 113.307 174.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.6 t70 45.48 20.99 0.06 Allowed 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 118.406 2.743 . . . . 0.0 118.406 172.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.47 -21.04 10.07 Favored Glycine 0 N--CA 1.477 1.381 0 C-N-CA 126.338 1.923 . . . . 0.0 113.225 -177.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -75.17 136.64 41.03 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.955 1.302 . . . . 0.0 108.886 174.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -118.06 129.81 55.78 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 125.677 1.591 . . . . 0.0 108.66 176.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.91 139.95 48.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 123.897 0.879 . . . . 0.0 109.387 -177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.1 t -132.56 118.05 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 C-N-CA 124.975 1.31 . . . . 0.0 108.667 177.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.7 p -121.9 135.18 54.87 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.485 0.714 . . . . 0.0 111.623 177.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -153.22 -172.08 4.13 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.76 158.17 44.13 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.901 1.281 . . . . 0.0 108.596 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -113.5 140.52 48.05 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.058 1.343 . . . . 0.0 108.023 177.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.444 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.39 134.13 44.78 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.678 1.191 . . . . 0.0 111.07 -175.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.3 t -59.57 123.24 16.22 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.436 1.094 . . . . 0.0 110.701 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -62.69 -13.46 32.49 Favored 'General case' 0 N--CA 1.48 1.051 0 O-C-N 120.074 -1.641 . . . . 0.0 111.697 178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -94.89 -68.14 0.82 Allowed 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.442 1.097 . . . . 0.0 111.668 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.44 -6.2 50.42 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -177.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.301 73.1 m80 53.56 20.39 2.09 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.339 1.856 . . . . 0.0 115.126 -177.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.47 146.63 52.99 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.978 1.311 . . . . 0.0 107.558 170.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.6 t -75.73 104.76 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 O-C-N 121.573 -0.704 . . . . 0.0 109.885 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.1 -45.68 98.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.526 1.531 . . . . 0.0 111.185 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.62 168.15 20.31 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.514 1.126 . . . . 0.0 112.583 -175.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.58 140.28 49.56 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 125.925 1.69 . . . . 0.0 109.117 174.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.03 139.6 53.9 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 126.154 1.781 . . . . 0.0 112.721 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -140.2 132.45 28.2 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 124.548 1.139 . . . . 0.0 108.844 174.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -131.68 126.2 34.0 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 173.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.76 135.85 49.75 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -128.68 127.63 42.52 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.195 0.998 . . . . 0.0 110.095 -178.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.65 142.88 50.89 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 126.482 1.913 . . . . 0.0 113.578 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -109.81 121.91 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 O-C-N 121.091 -1.006 . . . . 0.0 109.952 174.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.42 115.71 24.65 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.846 1.258 . . . . 0.0 114.214 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.4 t0 51.48 -69.16 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 128.499 2.72 . . . . 0.0 117.35 175.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -135.04 6.16 3.35 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.903 2.081 . . . . 0.0 112.169 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.28 171.18 14.03 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 120.914 -1.116 . . . . 0.0 109.929 -175.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -123.07 143.43 49.97 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 125.107 1.363 . . . . 0.0 109.219 176.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -121.23 130.0 53.47 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 126.86 2.064 . . . . 0.0 109.518 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -121.94 129.41 52.49 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 124.89 1.276 . . . . 0.0 109.326 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.93 141.49 36.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 122.094 0.95 . . . . 0.0 109.683 177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.0 ttp -137.85 145.25 41.99 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 125.805 1.642 . . . . 0.0 109.388 178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.74 105.24 3.11 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.221 1.808 . . . . 0.0 110.357 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.6 t -142.34 136.93 30.15 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.173 1.789 . . . . 0.0 110.132 178.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.3 tp -59.13 -34.36 71.96 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.288 1.035 . . . . 0.0 111.808 176.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.6 tp -96.32 -63.18 1.17 Allowed 'General case' 0 C--O 1.233 0.208 0 C-N-CA 125.055 1.342 . . . . 0.0 111.206 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.2 m -64.56 -37.66 88.34 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 123.887 0.875 . . . . 0.0 113.355 -173.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.32 174.9 13.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 117.652 1.821 . . . . 0.0 117.652 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.47 117.44 31.7 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.151 1.381 . . . . 0.0 110.139 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.61 157.26 44.55 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -150.37 137.76 19.64 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.349 1.059 . . . . 0.0 111.041 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -141.74 152.48 43.85 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.084 1.754 . . . . 0.0 111.77 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.92 132.86 37.02 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.963 -0.461 . . . . 0.0 110.536 175.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.8 mt -122.25 127.26 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.265 1.426 . . . . 0.0 110.942 -176.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.7 p -82.17 135.45 35.27 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.31 -0.868 . . . . 0.0 110.017 173.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.5 pp -131.37 179.43 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 124.968 1.307 . . . . 0.0 112.681 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 78.3 mt -134.01 160.32 68.99 Favored Pre-proline 0 CA--C 1.544 0.74 0 C-N-CA 126.187 1.795 . . . . 0.0 111.131 -177.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -61.58 -20.2 67.81 Favored 'Trans proline' 0 CA--C 1.542 0.89 0 C-N-CA 123.244 2.629 . . . . 0.0 113.519 178.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -73.83 -4.78 36.91 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.386 1.474 . . . . 0.0 112.828 174.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.9 t0 47.44 64.75 8.01 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 127.886 2.474 . . . . 0.0 114.976 -179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -72.6 -12.55 26.95 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.833 3.022 . . . . 0.0 116.249 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? 54.17 17.78 1.57 Allowed 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 126.208 1.803 . . . . 0.0 115.024 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 . . . . . 0 N--CA 1.478 0.934 0 C-N-CA 126.596 1.959 . . . . 0.0 113.34 -175.785 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.438 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.62 -34.15 1.0 Allowed Glycine 0 CA--C 1.531 1.08 0 C-N-CA 127.006 2.241 . . . . 0.0 111.648 -177.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -65.61 -18.86 65.64 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.741 -0.858 . . . . 0.0 109.87 169.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m -62.61 -25.22 67.99 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 126.03 1.732 . . . . 0.0 113.039 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 m -112.28 138.88 39.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 124.213 1.005 . . . . 0.0 112.097 -174.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -64.59 -39.33 93.53 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.636 1.174 . . . . 0.0 111.039 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -135.84 143.25 45.02 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.592 1.957 . . . . 0.0 109.534 175.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.45 123.97 29.04 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.907 0.883 . . . . 0.0 109.308 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 47.22 59.96 15.76 Favored Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 124.88 1.272 . . . . 0.0 113.379 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -62.53 146.31 95.47 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.52 2.813 . . . . 0.0 111.598 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -78.68 144.93 34.9 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.358 -1.464 . . . . 0.0 109.47 175.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.9 mmm-85 -117.25 29.46 7.88 Favored 'General case' 0 N--CA 1.482 1.145 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -176.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.81 13.65 13.68 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.952 1.739 . . . . 0.0 116.445 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 119.55 -2.89 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.14 1 C-N-CA 132.494 4.317 . . . . 0.0 115.745 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 89.4 m -64.49 117.65 7.65 Favored 'General case' 0 N--CA 1.482 1.127 0 O-C-N 120.961 -1.087 . . . . 0.0 112.844 -176.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 67.5 m -123.6 108.82 13.02 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.906 1.282 . . . . 0.0 110.214 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 mp -120.37 146.47 46.13 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 126.052 1.741 . . . . 0.0 113.48 -175.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -96.62 -0.18 48.98 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.757 1.223 . . . . 0.0 113.511 175.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -146.96 156.59 43.18 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.617 1.567 . . . . 0.0 111.803 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.36 -178.72 18.72 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.113 1.339 . . . . 0.0 114.678 176.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 57.7 m -150.16 119.33 6.77 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 127.435 2.294 . . . . 0.0 108.5 177.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -76.26 77.03 3.05 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 115.467 1.654 . . . . 0.0 115.467 -174.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.9 mt -51.38 -29.63 16.27 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.32 1.6 . . . . 0.0 115.32 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.3 mt -70.51 -20.06 62.86 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.667 1.187 . . . . 0.0 113.39 176.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -101.29 -34.18 9.74 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.111 0.964 . . . . 0.0 109.811 174.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -64.95 110.49 2.47 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 121.757 -0.589 . . . . 0.0 110.357 176.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.1 p -88.25 0.1 56.51 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.281 1.032 . . . . 0.0 112.245 178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 99.59 150.06 24.85 Favored Glycine 0 CA--C 1.534 1.226 0 C-N-CA 125.95 1.738 . . . . 0.0 109.531 -175.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.6 t -53.15 167.07 0.19 Allowed 'General case' 0 C--O 1.239 0.503 0 C-N-CA 125.437 1.495 . . . . 0.0 114.095 -177.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -125.71 -10.88 6.73 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.253 1.021 . . . . 0.0 112.242 172.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -74.09 -35.46 41.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 119.701 1.137 . . . . 0.0 109.04 171.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.7 p -131.74 -14.81 3.14 Favored 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 116.374 1.99 . . . . 0.0 116.374 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t 80.71 17.53 0.57 Allowed 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -87.24 143.88 27.07 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.044 -1.66 . . . . 0.0 113.365 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.7 ttt180 -117.29 161.09 20.06 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.614 1.566 . . . . 0.0 109.861 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.267 3.8 p30 52.51 25.58 3.69 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 126.31 1.844 . . . . 0.0 115.076 -176.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -121.54 99.4 6.45 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 128.763 2.825 . . . . 0.0 111.155 -177.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.02 149.09 13.94 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.598 1.333 . . . . 0.0 114.598 176.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.35 165.04 19.75 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 130.899 3.68 . . . . 0.0 109.055 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -125.89 134.24 67.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 N-CA-C 106.582 -1.636 . . . . 0.0 106.582 175.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.456 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -149.27 175.52 11.33 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.477 0.711 . . . . 0.0 110.891 177.606 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.0 t30 59.15 18.44 6.48 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 124.668 1.187 . . . . 0.0 113.363 174.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -58.28 113.67 2.06 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 126.712 2.005 . . . . 0.0 111.889 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 61.6 m -107.4 156.07 19.33 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 125.958 1.703 . . . . 0.0 111.626 177.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -140.12 137.82 34.78 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 125.296 1.439 . . . . 0.0 110.539 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -132.06 146.67 52.21 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 126.663 1.985 . . . . 0.0 111.285 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -139.15 116.3 11.05 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 120.897 0.38 . . . . 0.0 111.329 176.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -118.86 121.5 40.16 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.362 1.465 . . . . 0.0 113.248 174.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.4 t70 44.82 21.19 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 118.54 2.793 . . . . 0.0 118.54 172.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.76 -20.41 10.05 Favored Glycine 0 N--CA 1.477 1.397 0 C-N-CA 126.231 1.872 . . . . 0.0 113.247 -177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -75.34 136.78 40.81 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.093 1.357 . . . . 0.0 108.93 174.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -117.91 130.0 55.97 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.607 1.563 . . . . 0.0 108.659 176.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.44 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.8 139.32 50.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 123.875 0.87 . . . . 0.0 109.529 -178.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.4 t -132.39 118.16 34.58 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.985 1.314 . . . . 0.0 109.292 177.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.5 p -121.95 134.92 54.84 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.514 0.726 . . . . 0.0 111.879 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -152.35 -168.79 3.16 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.011 -1.055 . . . . 0.0 113.391 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -141.73 158.24 44.05 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.531 1.132 . . . . 0.0 109.709 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -108.52 139.01 43.88 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 173.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.456 ' CD1' HG22 ' A' ' 42' ' ' THR . 5.6 mp -132.87 129.28 38.22 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 124.506 1.123 . . . . 0.0 110.299 -175.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.0 t -56.42 123.69 15.56 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.53 1.132 . . . . 0.0 111.159 178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.1 tptp -63.04 -12.62 27.63 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 120.228 -1.545 . . . . 0.0 111.722 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -96.3 -67.0 0.87 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.312 1.045 . . . . 0.0 111.631 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.2 p -93.84 -5.74 47.38 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.122 1.527 . . . . 0.0 115.122 -178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 63.7 m80 52.63 20.48 1.54 Allowed 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 126.302 1.841 . . . . 0.0 115.018 -176.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.37 146.19 53.47 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.522 -1.288 . . . . 0.0 107.522 169.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.8 t -74.64 104.96 3.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 O-C-N 121.678 -0.639 . . . . 0.0 109.745 177.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.3 mt -61.03 -45.58 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 125.377 1.471 . . . . 0.0 110.684 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.75 164.54 23.72 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.802 1.241 . . . . 0.0 112.131 -176.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? -110.44 143.6 40.49 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.28 1.432 . . . . 0.0 108.66 173.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -125.06 138.27 54.2 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.862 1.665 . . . . 0.0 111.848 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -137.76 132.07 32.18 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.742 1.217 . . . . 0.0 108.863 175.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.2 t80 -131.39 125.71 33.31 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 106.59 -1.633 . . . . 0.0 106.59 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.44 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -128.46 135.77 49.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.965 0.888 . . . . 0.0 108.675 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -128.57 126.2 39.83 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.017 0.927 . . . . 0.0 110.175 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.01 142.93 51.43 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.516 1.926 . . . . 0.0 113.656 -176.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.2 122.36 64.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 O-C-N 121.022 -1.049 . . . . 0.0 110.194 174.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.72 24.66 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.937 1.295 . . . . 0.0 113.434 177.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 51.74 -71.41 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 128.354 2.661 . . . . 0.0 116.708 177.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -136.31 8.16 3.14 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 126.764 2.026 . . . . 0.0 111.963 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.03 170.46 13.96 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.95 -1.094 . . . . 0.0 109.159 -175.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -124.17 143.43 50.51 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 125.007 1.323 . . . . 0.0 109.287 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -121.43 129.28 52.9 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 126.393 1.877 . . . . 0.0 109.215 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -120.96 128.88 53.15 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 125.01 1.324 . . . . 0.0 109.133 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.88 142.45 36.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 122.02 0.914 . . . . 0.0 109.183 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 ttp -137.05 145.65 44.27 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 125.628 1.571 . . . . 0.0 109.298 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tp -150.84 105.36 3.26 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.352 1.861 . . . . 0.0 110.108 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.7 t -142.12 136.89 30.52 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.291 1.837 . . . . 0.0 109.724 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.4 tp -59.91 -34.45 73.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.218 1.007 . . . . 0.0 111.8 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.9 tp -95.38 -63.82 1.12 Allowed 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 124.911 1.284 . . . . 0.0 111.303 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.1 m -64.72 -37.2 86.79 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 124.161 0.985 . . . . 0.0 113.468 -173.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.12 175.19 13.98 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 118.094 1.998 . . . . 0.0 118.094 172.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -113.18 116.68 30.2 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 125.354 1.462 . . . . 0.0 109.797 174.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.65 157.27 44.53 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.226 1.011 . . . . 0.0 113.712 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -150.18 139.04 20.89 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.258 1.023 . . . . 0.0 111.532 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -141.77 152.39 43.72 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.289 1.836 . . . . 0.0 111.785 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.91 134.37 38.66 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.736 -0.603 . . . . 0.0 110.511 174.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.1 mt -122.26 127.74 75.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.062 1.345 . . . . 0.0 110.841 -177.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 32.7 p -83.16 131.87 35.11 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 121.421 -0.799 . . . . 0.0 108.903 173.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.41 -175.04 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 122.517 1.151 . . . . 0.0 113.97 -173.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 70.7 mt -133.86 164.38 44.41 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 128.779 2.832 . . . . 0.0 108.678 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -59.47 -15.49 30.57 Favored 'Trans proline' 0 CA--C 1.544 1.008 0 C-N-CA 122.969 2.446 . . . . 0.0 114.595 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.72 -3.85 40.23 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.115 1.366 . . . . 0.0 112.822 174.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.0 t0 49.65 55.27 16.97 Favored Pre-proline 0 CA--C 1.557 1.246 0 C-N-CA 127.502 2.321 . . . . 0.0 114.695 -178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -74.58 -21.07 17.28 Favored 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 123.991 3.127 . . . . 0.0 115.463 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 45.4 38.53 3.73 Favored 'General case' 0 N--CA 1.487 1.397 0 C-N-CA 126.978 2.111 . . . . 0.0 115.197 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 . . . . . 0 N--CA 1.475 0.793 0 C-N-CA 126.302 1.841 . . . . 0.0 113.278 -179.556 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.74 -34.24 1.02 Allowed Glycine 0 CA--C 1.531 1.045 0 C-N-CA 126.967 2.223 . . . . 0.0 111.831 -177.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.53 -18.74 65.55 Favored 'General case' 0 CA--C 1.548 0.904 0 O-C-N 121.698 -0.883 . . . . 0.0 109.982 169.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.4 m -62.57 -25.59 68.15 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.268 1.827 . . . . 0.0 113.056 175.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.3 m -111.37 138.73 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.118 0.967 . . . . 0.0 111.865 -174.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -64.83 -40.38 95.09 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.905 1.282 . . . . 0.0 110.334 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' HE2' ' HB3' ' A' ' 11' ' ' PRO . 28.5 mtmm -135.37 139.1 43.97 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.741 2.016 . . . . 0.0 108.911 179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -81.09 125.26 29.99 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.634 0.774 . . . . 0.0 109.367 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 45.51 59.55 14.56 Favored Pre-proline 0 N--CA 1.476 0.869 0 C-N-CA 124.884 1.274 . . . . 0.0 113.051 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.4 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 67.1 Cg_endo -63.12 143.49 90.39 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.241 2.627 . . . . 0.0 111.785 -178.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -76.61 143.23 40.33 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 120.502 -1.374 . . . . 0.0 109.401 175.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.04 31.21 6.75 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 114.565 1.32 . . . . 0.0 114.565 -175.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.99 37.05 69.21 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 123.46 0.552 . . . . 0.0 113.073 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 84.08 6.83 0.62 Allowed 'General case' 0 CA--C 1.556 1.184 0 C-N-CA 128.816 2.847 . . . . 0.0 114.659 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.406 HG22 HD13 ' A' ' 18' ' ' LEU . 95.7 m -70.36 117.25 11.66 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 120.257 -1.527 . . . . 0.0 111.524 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.9 m -121.69 109.8 15.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.543 1.137 . . . . 0.0 110.266 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.406 HD13 HG22 ' A' ' 16' ' ' THR . 6.0 mp -119.25 145.4 46.1 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.186 1.794 . . . . 0.0 113.598 -175.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.97 -4.56 46.47 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.619 1.967 . . . . 0.0 113.228 176.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -147.35 154.98 41.56 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.261 1.024 . . . . 0.0 112.871 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.83 -176.04 16.85 Favored Glycine 0 CA--C 1.536 1.392 0 C-N-CA 125.655 1.597 . . . . 0.0 114.563 177.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.3 m -148.77 118.54 7.07 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.623 2.369 . . . . 0.0 108.046 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -74.85 77.59 2.12 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 -173.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 27.7 mt -52.46 -29.4 24.49 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 77.1 mt -71.04 -13.46 61.99 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -110.9 -29.02 8.11 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.167 1.387 . . . . 0.0 110.397 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -67.88 111.2 4.21 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.141 0.882 . . . . 0.0 109.934 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 47.5 p -87.2 -3.77 59.07 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.824 0.85 . . . . 0.0 112.531 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.86 148.58 20.5 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 125.943 1.735 . . . . 0.0 109.119 -174.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.4 t -52.72 167.77 0.14 Allowed 'General case' 0 C--O 1.239 0.507 0 C-N-CA 125.662 1.585 . . . . 0.0 114.091 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.45 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -125.73 -11.6 6.66 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.865 -1.061 . . . . 0.0 112.311 172.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.7 t -74.0 -35.34 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-N 119.713 1.142 . . . . 0.0 109.158 171.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.0 p -131.68 -15.65 3.07 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 116.343 1.979 . . . . 0.0 116.343 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 80.32 17.04 0.67 Allowed 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 mmtm -84.42 147.27 27.21 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 119.772 -1.83 . . . . 0.0 112.91 178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -122.97 160.89 25.29 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.041 1.737 . . . . 0.0 109.881 176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.259 4.2 p30 50.93 27.48 3.21 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 126.356 1.862 . . . . 0.0 115.072 -175.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -123.19 100.72 7.0 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 128.708 2.803 . . . . 0.0 111.564 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.34 150.21 17.92 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 176.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.37 167.52 16.08 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 131.218 3.807 . . . . 0.0 108.938 178.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 88.1 mt -129.88 136.44 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 C-N-CA 125.929 1.691 . . . . 0.0 106.97 176.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.437 HG22 HD11 ' A' ' 60' ' ' LEU . 0.9 OUTLIER -148.91 173.76 12.97 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.313 0.645 . . . . 0.0 111.611 178.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.281 0.0 OUTLIER 57.59 14.61 2.41 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.414 2.286 . . . . 0.0 115.441 178.93 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -50.68 111.46 0.55 Allowed 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.847 2.059 . . . . 0.0 112.901 -178.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.3 m -107.44 155.96 19.47 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 125.822 1.649 . . . . 0.0 111.834 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -141.38 137.77 32.54 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.555 1.542 . . . . 0.0 110.135 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -131.48 146.63 52.33 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 126.53 1.932 . . . . 0.0 111.113 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -138.73 116.31 11.34 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.887 0.375 . . . . 0.0 110.882 175.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -118.95 121.41 39.87 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.422 1.489 . . . . 0.0 113.382 174.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t70 45.69 20.91 0.07 Allowed 'General case' 0 CA--C 1.559 1.298 0 N-CA-C 118.427 2.751 . . . . 0.0 118.427 172.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.54 -20.81 10.1 Favored Glycine 0 N--CA 1.477 1.411 0 C-N-CA 126.316 1.912 . . . . 0.0 113.163 -177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -75.56 136.74 40.53 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.934 1.293 . . . . 0.0 108.822 174.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -118.08 129.9 55.82 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.912 1.685 . . . . 0.0 108.516 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.67 138.94 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 123.805 0.842 . . . . 0.0 109.188 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.6 t -132.38 118.14 34.54 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 124.776 1.23 . . . . 0.0 108.993 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.5 p -122.03 134.88 54.8 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.594 0.758 . . . . 0.0 111.844 177.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -153.53 -171.66 3.98 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.079 -1.013 . . . . 0.0 113.192 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.66 158.19 44.13 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.703 1.201 . . . . 0.0 108.997 -178.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -112.29 141.05 46.47 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.184 1.394 . . . . 0.0 108.092 176.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.437 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.56 134.62 45.19 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.615 1.166 . . . . 0.0 111.174 -175.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.8 t -59.75 123.91 18.47 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.385 1.074 . . . . 0.0 110.641 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -63.12 -13.47 36.92 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 120.15 -1.594 . . . . 0.0 111.71 178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -94.84 -68.72 0.79 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.463 1.105 . . . . 0.0 111.613 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.8 p -91.53 -6.55 52.3 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.298 73.1 m80 53.41 21.13 2.25 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 126.326 1.85 . . . . 0.0 114.974 -177.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.95 147.06 52.19 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.111 1.364 . . . . 0.0 107.576 169.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.9 t -75.65 105.13 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.622 -0.674 . . . . 0.0 110.032 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.2 mt -61.29 -45.63 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 125.622 1.569 . . . . 0.0 111.124 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.66 167.8 20.68 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.566 1.146 . . . . 0.0 112.439 -175.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -115.5 140.72 48.9 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.861 1.664 . . . . 0.0 109.179 174.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.05 139.33 54.19 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 126.13 1.772 . . . . 0.0 112.37 -177.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -139.59 132.94 30.04 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 124.592 1.157 . . . . 0.0 108.677 174.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -132.0 125.96 32.79 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.58 135.81 49.87 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -129.87 127.47 40.27 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.091 0.956 . . . . 0.0 110.469 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -126.22 142.79 51.39 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 126.918 2.087 . . . . 0.0 113.733 -177.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.5 mt -114.48 121.47 66.66 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 171.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . 0.379 0.0 OUTLIER -119.87 121.28 38.71 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 174.475 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 53.87 -70.05 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 128.734 2.814 . . . . 0.0 116.804 176.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -137.39 5.51 2.72 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 126.128 1.771 . . . . 0.0 112.577 -179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -132.18 173.5 11.18 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.791 1.178 . . . . 0.0 109.543 -176.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -125.12 143.43 50.93 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 125.681 1.592 . . . . 0.0 108.799 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -122.83 130.86 53.4 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 127.611 2.364 . . . . 0.0 109.932 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -121.74 130.66 53.59 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 125.127 1.371 . . . . 0.0 109.068 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.88 143.11 36.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 122.212 1.006 . . . . 0.0 109.494 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.8 ttp -138.11 145.32 41.5 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 125.696 1.598 . . . . 0.0 109.2 177.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 tp -151.9 105.36 3.1 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 126.152 1.781 . . . . 0.0 110.186 -179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.7 t -142.41 136.68 29.78 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 126.334 1.854 . . . . 0.0 109.941 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.75 -34.35 72.85 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.142 0.977 . . . . 0.0 111.954 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.5 tp -94.76 -62.42 1.32 Allowed 'General case' 0 C--O 1.233 0.202 0 C-N-CA 124.879 1.272 . . . . 0.0 111.341 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 79.9 m -66.01 -39.24 90.08 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.237 1.015 . . . . 0.0 113.543 -172.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.69 174.45 13.68 Favored Glycine 0 C--N 1.336 0.582 0 N-CA-C 118.063 1.985 . . . . 0.0 118.063 173.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.87 117.96 32.87 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.178 1.391 . . . . 0.0 110.232 174.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.75 157.24 44.53 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -150.12 137.79 19.95 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.359 1.064 . . . . 0.0 111.035 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -141.78 152.42 43.74 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.281 1.832 . . . . 0.0 111.939 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -135.41 134.87 40.13 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.894 -0.504 . . . . 0.0 111.112 175.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.3 mt -122.28 127.56 75.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.503 1.521 . . . . 0.0 110.814 -177.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.3 p -83.73 134.11 34.76 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.5 -0.75 . . . . 0.0 109.725 174.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -133.84 -175.4 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.648 0 C-N-CA 124.455 1.102 . . . . 0.0 113.208 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 69.7 mt -135.47 165.36 36.86 Favored Pre-proline 0 CA--C 1.543 0.683 0 C-N-CA 128.288 2.635 . . . . 0.0 109.145 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -59.25 -17.09 37.54 Favored 'Trans proline' 0 CA--C 1.546 1.082 0 C-N-CA 122.982 2.455 . . . . 0.0 114.29 178.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -76.97 -3.83 40.91 Favored 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 125.388 1.475 . . . . 0.0 112.944 174.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.8 t0 50.37 55.39 16.69 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 127.594 2.357 . . . . 0.0 114.897 -179.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -75.08 -21.59 15.54 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 123.9 3.066 . . . . 0.0 115.7 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 45.54 39.57 4.93 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 126.824 2.05 . . . . 0.0 115.054 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 . . . . . 0 N--CA 1.475 0.819 0 C-N-CA 126.299 1.84 . . . . 0.0 113.168 -179.014 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.895 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.83 -33.77 1.03 Allowed Glycine 0 CA--C 1.532 1.094 0 C-N-CA 126.853 2.168 . . . . 0.0 111.871 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.3 -18.44 65.35 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 118.058 0.929 . . . . 0.0 110.064 169.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.53 -27.5 68.65 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.852 1.661 . . . . 0.0 112.91 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 m -111.12 138.92 37.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.701 1.2 . . . . 0.0 111.754 -174.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.8 -38.01 89.55 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.854 -1.154 . . . . 0.0 111.195 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -137.19 143.84 42.56 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.56 1.944 . . . . 0.0 109.396 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -81.44 124.77 29.72 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.954 0.902 . . . . 0.0 109.365 175.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 46.14 59.89 14.86 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 124.915 1.286 . . . . 0.0 113.213 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -63.17 145.37 93.48 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.167 2.578 . . . . 0.0 111.639 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -77.73 143.73 37.81 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.587 -1.32 . . . . 0.0 109.604 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.02 31.06 6.83 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -175.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.0 36.82 68.5 Favored Glycine 0 CA--C 1.535 1.292 0 C-N-CA 123.438 0.542 . . . . 0.0 113.081 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.95 6.83 0.64 Allowed 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 128.87 2.868 . . . . 0.0 114.737 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.413 HG22 HD13 ' A' ' 18' ' ' LEU . 97.2 m -70.64 117.71 12.5 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.32 -1.487 . . . . 0.0 111.617 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.5 m -121.23 109.35 14.85 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.634 1.174 . . . . 0.0 110.303 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.413 HD13 HG22 ' A' ' 16' ' ' THR . 5.8 mp -118.1 145.08 45.12 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.259 1.824 . . . . 0.0 113.478 -175.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.2 -7.8 41.14 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.16 1.784 . . . . 0.0 113.026 176.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -145.26 156.31 43.75 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -177.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 111.11 -168.14 12.75 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 126.057 1.789 . . . . 0.0 114.853 176.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.1 m -152.24 119.31 5.85 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.075 2.15 . . . . 0.0 108.105 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -74.66 77.3 2.03 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 115.883 1.808 . . . . 0.0 115.883 -174.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.5 mt -51.5 -29.53 16.93 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 115.767 1.766 . . . . 0.0 115.767 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 71.5 mt -70.51 -19.66 62.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.827 0.851 . . . . 0.0 113.216 177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -101.9 -33.91 9.59 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.213 1.005 . . . . 0.0 109.842 174.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -65.84 109.47 2.49 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.787 -0.571 . . . . 0.0 110.075 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.2 p -90.62 7.31 39.92 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.148 0.979 . . . . 0.0 112.198 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.0 151.46 27.99 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.51 1.529 . . . . 0.0 109.588 -175.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.78 170.42 0.12 Allowed 'General case' 0 C--O 1.238 0.475 0 C-N-CA 125.8 1.64 . . . . 0.0 114.264 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.435 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.85 -11.62 5.42 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.339 171.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.5 t -73.63 -35.46 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-N 119.793 1.179 . . . . 0.0 109.044 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.3 p -131.44 -17.37 2.96 Favored 'General case' 0 CA--C 1.55 0.981 0 N-CA-C 116.184 1.92 . . . . 0.0 116.184 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.32 15.98 0.54 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.532 1.933 . . . . 0.0 116.158 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -82.44 148.23 28.3 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 119.723 -1.861 . . . . 0.0 113.035 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -123.21 160.94 25.51 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.691 1.597 . . . . 0.0 110.096 175.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.04 26.6 3.87 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 126.34 1.856 . . . . 0.0 114.911 -175.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -122.32 99.34 6.37 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 128.895 2.878 . . . . 0.0 111.377 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.1 150.1 18.26 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.283 1.586 . . . . 0.0 115.283 177.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.79 167.26 16.77 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 131.263 3.825 . . . . 0.0 109.691 178.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.0 mt -127.71 134.07 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 126.219 1.808 . . . . 0.0 107.092 176.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.45 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.13 173.13 12.79 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.76 0.824 . . . . 0.0 111.663 178.597 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.266 0.0 OUTLIER 56.28 13.04 1.13 Allowed 'General case' 0 CA--C 1.552 1.039 0 C-N-CA 127.457 2.303 . . . . 0.0 115.248 179.267 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -53.63 113.08 1.05 Allowed 'General case' 0 N--CA 1.466 0.325 0 C-N-CA 127.86 2.464 . . . . 0.0 114.199 -177.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.1 m -107.53 156.18 19.28 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.508 1.523 . . . . 0.0 112.767 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tt -138.49 137.73 37.4 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.105 1.762 . . . . 0.0 109.108 176.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -132.01 146.61 52.18 Favored 'General case' 0 CA--C 1.519 -0.231 0 C-N-CA 126.332 1.853 . . . . 0.0 110.659 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -137.58 116.27 12.17 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 175.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -118.92 121.4 39.88 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.047 1.339 . . . . 0.0 113.68 174.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 14.6 t70 46.75 20.43 0.11 Allowed 'General case' 0 CA--C 1.558 1.287 0 N-CA-C 118.581 2.808 . . . . 0.0 118.581 170.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.12 -20.7 9.68 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 126.721 2.105 . . . . 0.0 113.36 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -77.92 138.56 38.95 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.514 1.526 . . . . 0.0 109.535 175.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -117.94 129.83 55.85 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.032 1.733 . . . . 0.0 108.587 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.66 139.51 50.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 C-N-CA 124.078 0.951 . . . . 0.0 109.376 -177.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.7 t -132.42 117.98 33.77 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.695 1.198 . . . . 0.0 108.571 177.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.2 p -122.02 134.19 54.8 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.835 0.854 . . . . 0.0 111.876 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -155.73 -170.71 3.51 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.255 -0.903 . . . . 0.0 113.211 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.68 158.18 44.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.882 1.273 . . . . 0.0 108.933 -178.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -112.06 140.33 46.83 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.232 1.413 . . . . 0.0 108.003 176.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.45 ' CD1' HG22 ' A' ' 42' ' ' THR . 6.3 mp -132.18 133.92 44.78 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.697 1.199 . . . . 0.0 111.003 -175.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.03 123.19 15.76 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.497 1.119 . . . . 0.0 110.621 177.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -62.82 -13.48 34.09 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 120.052 -1.655 . . . . 0.0 111.711 178.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.2 t30 -94.71 -67.92 0.83 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.419 1.087 . . . . 0.0 111.657 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.6 p -92.24 -6.44 50.47 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.964 1.468 . . . . 0.0 114.964 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 72.7 m80 53.27 21.57 2.34 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 126.324 1.85 . . . . 0.0 115.062 -177.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.75 146.81 51.2 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.17 1.388 . . . . 0.0 107.488 169.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.8 t -75.44 105.59 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 O-C-N 121.575 -0.703 . . . . 0.0 109.981 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.9 mt -62.04 -45.58 98.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 125.45 1.5 . . . . 0.0 111.059 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.53 167.64 21.14 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.5 1.12 . . . . 0.0 112.626 -175.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -115.4 140.76 48.85 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.946 1.698 . . . . 0.0 109.022 174.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -124.29 138.96 54.33 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.909 1.684 . . . . 0.0 112.477 -177.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -139.37 132.22 29.24 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.666 1.187 . . . . 0.0 108.713 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -131.64 126.21 34.1 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 173.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.62 135.79 49.8 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -129.09 125.13 36.53 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.038 0.935 . . . . 0.0 110.091 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -126.11 142.9 51.33 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 126.818 2.047 . . . . 0.0 113.763 -175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.71 122.15 64.71 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 O-C-N 121.135 -0.978 . . . . 0.0 110.385 174.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.75 24.72 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.037 1.335 . . . . 0.0 113.726 177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.3 t0 52.27 -70.92 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 128.34 2.656 . . . . 0.0 116.725 176.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -136.74 8.79 3.06 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.822 2.049 . . . . 0.0 112.037 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -130.92 170.96 13.75 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.863 -1.148 . . . . 0.0 108.956 -175.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -125.39 143.49 50.95 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.155 1.382 . . . . 0.0 109.236 178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -121.27 129.58 53.22 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 126.776 2.03 . . . . 0.0 109.113 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -120.64 129.72 53.83 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 124.951 1.301 . . . . 0.0 108.895 178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.94 142.07 36.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 122.216 1.008 . . . . 0.0 109.361 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.8 ttp -138.54 145.04 40.21 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 125.659 1.584 . . . . 0.0 109.305 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.4 tp -151.43 105.67 3.2 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.123 1.769 . . . . 0.0 110.196 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.7 t -142.66 136.97 29.61 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 126.163 1.785 . . . . 0.0 110.217 178.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.0 tp -59.15 -34.17 71.76 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.198 0.999 . . . . 0.0 111.855 176.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.7 tp -96.52 -63.13 1.17 Allowed 'General case' 0 C--O 1.232 0.166 0 C-N-CA 125.061 1.344 . . . . 0.0 111.231 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.1 m -64.69 -37.59 88.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 -173.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.55 174.81 13.84 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 117.761 1.865 . . . . 0.0 117.761 172.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 33.4 ttmt -112.86 117.6 32.58 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.522 1.529 . . . . 0.0 109.821 175.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.76 157.2 44.55 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.344 1.058 . . . . 0.0 113.828 -178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -150.98 137.77 18.94 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.309 1.044 . . . . 0.0 111.158 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -141.82 152.47 43.72 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.41 1.884 . . . . 0.0 111.856 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.03 133.65 39.6 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.778 -0.576 . . . . 0.0 110.735 174.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.7 mt -122.26 129.72 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 125.422 1.489 . . . . 0.0 111.313 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 26.1 p -84.23 133.38 34.58 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.16 -0.963 . . . . 0.0 109.362 173.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 pp -135.63 -173.4 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.678 1.191 . . . . 0.0 114.1 -173.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 77.7 mt -128.7 161.69 55.91 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 128.563 2.745 . . . . 0.0 108.873 178.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -58.4 -14.59 21.01 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 123.399 2.733 . . . . 0.0 115.257 -179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -75.31 -7.1 53.04 Favored 'General case' 0 CA--C 1.554 1.097 0 C-N-CA 125.023 1.329 . . . . 0.0 113.137 175.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 47.7 t0 48.41 63.12 10.88 Favored Pre-proline 0 CA--C 1.556 1.181 0 C-N-CA 127.336 2.254 . . . . 0.0 114.256 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -73.9 -13.23 24.09 Favored 'Trans proline' 0 CA--C 1.542 0.923 0 C-N-CA 123.819 3.013 . . . . 0.0 115.813 -177.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 15.0 mmt180 53.19 20.63 1.9 Allowed 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 126.317 1.847 . . . . 0.0 114.697 -177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 . . . . . 0 N--CA 1.476 0.849 0 C-N-CA 127.362 2.265 . . . . 0.0 113.736 -176.923 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.64 -33.73 1.0 Allowed Glycine 0 CA--C 1.531 1.038 0 C-N-CA 126.986 2.232 . . . . 0.0 111.726 -177.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -65.7 -19.19 65.81 Favored 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 118.047 0.924 . . . . 0.0 109.964 169.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.5 m -61.96 -25.87 67.86 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 126.132 1.773 . . . . 0.0 113.157 175.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.0 m -112.15 138.48 40.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.506 1.123 . . . . 0.0 111.526 -174.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -63.94 -38.77 92.32 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 120.872 -1.142 . . . . 0.0 110.779 176.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.1 mmtm -137.26 142.89 41.99 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.577 1.551 . . . . 0.0 109.43 176.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -80.92 124.31 29.02 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.087 0.955 . . . . 0.0 109.314 176.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 46.86 59.98 15.52 Favored Pre-proline 0 N--CA 1.475 0.783 0 C-N-CA 124.698 1.199 . . . . 0.0 113.117 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -63.09 146.75 94.61 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.37 2.713 . . . . 0.0 111.429 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -77.92 145.46 36.12 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 120.523 -1.361 . . . . 0.0 109.393 174.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.6 mmm-85 -119.16 28.63 8.12 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -174.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.32 36.95 71.24 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.345 0.498 . . . . 0.0 112.872 -178.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 82.96 6.34 0.83 Allowed 'General case' 0 CA--C 1.556 1.187 0 C-N-CA 128.915 2.886 . . . . 0.0 114.731 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.429 HG22 HD13 ' A' ' 18' ' ' LEU . 92.4 m -70.71 118.66 13.78 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.251 -1.531 . . . . 0.0 111.536 -179.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.3 m -122.8 109.84 14.71 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.68 1.192 . . . . 0.0 110.31 -179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD13 HG22 ' A' ' 16' ' ' THR . 6.4 mp -120.84 148.79 43.54 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.09 1.756 . . . . 0.0 113.966 -175.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.11 0.85 38.54 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.321 2.248 . . . . 0.0 112.837 176.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -141.26 159.5 42.08 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.227 1.411 . . . . 0.0 113.249 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.7 -175.32 35.5 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.265 1.412 . . . . 0.0 115.929 175.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 m -146.13 123.14 11.4 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 127.798 2.439 . . . . 0.0 108.533 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -75.29 76.72 2.4 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -174.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.3 mt -51.78 -29.54 19.37 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.38 -18.89 63.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.315 1.046 . . . . 0.0 113.182 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -102.7 -33.1 9.54 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.172 0.989 . . . . 0.0 110.376 174.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -66.13 109.97 2.8 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 175.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.7 p -88.65 2.06 53.9 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.225 1.01 . . . . 0.0 112.11 178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.31 150.61 26.86 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.94 1.733 . . . . 0.0 109.448 -175.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.1 t -53.1 168.87 0.12 Allowed 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.562 1.545 . . . . 0.0 114.301 -177.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.433 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.54 -11.43 6.2 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.24 171.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.9 t -74.02 -35.41 41.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.533 0 CA-C-N 119.681 1.128 . . . . 0.0 109.056 171.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.0 p -131.59 -16.7 2.98 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 82.2 14.6 0.48 Allowed 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 116.55 2.055 . . . . 0.0 116.55 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -83.34 145.37 29.09 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.025 -1.672 . . . . 0.0 113.34 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -119.33 160.76 21.64 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.684 1.594 . . . . 0.0 110.016 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.06 26.7 3.96 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 126.337 1.855 . . . . 0.0 115.045 -176.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.29 98.84 6.11 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 128.704 2.802 . . . . 0.0 111.386 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.93 150.55 18.94 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.46 165.37 19.96 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 131.265 3.826 . . . . 0.0 109.266 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.1 mt -127.57 134.18 66.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 125.873 1.669 . . . . 0.0 106.866 176.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.445 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.27 172.77 13.33 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.483 0.713 . . . . 0.0 111.78 178.784 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.278 0.0 OUTLIER 57.78 15.82 3.2 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 127.262 2.225 . . . . 0.0 114.897 178.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -54.33 112.86 1.07 Allowed 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.987 2.115 . . . . 0.0 113.476 -178.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.2 m -107.47 156.12 19.31 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 125.296 1.438 . . . . 0.0 112.297 176.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -138.72 137.76 37.08 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 125.68 1.592 . . . . 0.0 109.697 177.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -131.88 146.69 52.27 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 126.379 1.872 . . . . 0.0 111.125 -178.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -138.9 116.36 11.26 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 120.898 0.38 . . . . 0.0 111.09 176.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -118.91 121.42 39.93 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.286 1.434 . . . . 0.0 113.198 174.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 45.1 20.73 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 118.415 2.746 . . . . 0.0 118.415 172.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.07 -20.96 9.63 Favored Glycine 0 N--CA 1.477 1.424 0 C-N-CA 126.273 1.892 . . . . 0.0 113.304 -176.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.5 tt0 -74.73 136.99 41.76 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.104 1.361 . . . . 0.0 108.92 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -117.94 129.85 55.86 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 125.584 1.554 . . . . 0.0 108.705 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.407 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.72 139.58 49.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 C-N-CA 123.836 0.855 . . . . 0.0 109.47 -178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.2 t -132.35 118.13 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.757 1.223 . . . . 0.0 108.797 177.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.5 p -121.91 134.75 54.86 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.523 0.729 . . . . 0.0 112.015 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -154.45 -170.95 3.69 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -141.64 158.31 43.99 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.897 1.279 . . . . 0.0 109.248 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -111.7 141.15 45.67 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.222 1.409 . . . . 0.0 108.206 176.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.445 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.68 134.37 44.73 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.763 1.225 . . . . 0.0 110.883 -176.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.3 t -59.42 123.48 16.94 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.486 1.114 . . . . 0.0 110.745 177.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -63.05 -12.84 29.37 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 120.107 -1.621 . . . . 0.0 111.737 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -95.86 -67.7 0.84 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.549 1.139 . . . . 0.0 111.655 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.2 p -92.84 -5.98 49.81 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 -177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.294 70.8 m80 53.49 20.29 2.0 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.374 1.87 . . . . 0.0 115.156 -177.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.4 147.06 52.61 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.844 1.257 . . . . 0.0 107.719 169.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.7 t -76.46 102.25 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 O-C-N 121.558 -0.714 . . . . 0.0 110.325 178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.9 mt -58.66 -47.49 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 125.555 1.542 . . . . 0.0 111.478 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -161.7 168.31 23.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.409 1.084 . . . . 0.0 112.511 -175.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.6 141.26 48.42 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.147 1.779 . . . . 0.0 108.747 176.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -125.77 138.64 53.86 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.678 1.591 . . . . 0.0 112.781 -176.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -140.19 131.43 26.6 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 124.452 1.101 . . . . 0.0 108.977 174.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -130.51 126.7 37.52 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 173.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.407 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -129.01 135.77 49.41 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -128.63 127.2 41.76 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.217 1.007 . . . . 0.0 110.116 -178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.98 142.9 51.11 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.511 1.925 . . . . 0.0 113.562 -176.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.9 mt -109.73 121.97 63.56 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 O-C-N 121.048 -1.032 . . . . 0.0 109.862 174.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.46 115.8 24.8 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.721 1.209 . . . . 0.0 113.75 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 51.05 -69.0 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 128.534 2.733 . . . . 0.0 117.365 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -136.23 6.1 3.05 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.975 2.11 . . . . 0.0 112.059 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.59 170.47 14.69 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 120.991 -1.068 . . . . 0.0 109.569 -175.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -122.71 143.53 49.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.804 1.242 . . . . 0.0 109.322 175.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -121.61 130.78 53.73 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 126.844 2.058 . . . . 0.0 109.555 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -122.08 129.97 52.85 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 124.955 1.302 . . . . 0.0 109.168 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.51 142.39 37.28 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.925 0.869 . . . . 0.0 109.099 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.1 ttp -138.0 145.69 42.2 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 125.57 1.548 . . . . 0.0 109.302 177.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.52 105.21 3.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.291 1.836 . . . . 0.0 110.255 -179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 37.6 t -142.11 136.87 30.52 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.153 1.781 . . . . 0.0 110.204 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.1 tp -59.26 -34.11 71.85 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.164 0.985 . . . . 0.0 111.947 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.8 tp -96.64 -63.16 1.17 Allowed 'General case' 0 C--O 1.232 0.165 0 C-N-CA 124.928 1.291 . . . . 0.0 111.117 179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.1 m -64.6 -37.4 87.43 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.006 0.922 . . . . 0.0 113.32 -173.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.29 174.61 13.8 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 117.866 1.906 . . . . 0.0 117.866 172.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -113.42 117.13 30.87 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.331 1.452 . . . . 0.0 110.255 174.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.75 157.28 44.5 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -149.81 138.3 20.7 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.349 1.06 . . . . 0.0 110.924 175.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -141.89 152.35 43.5 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 126.205 1.802 . . . . 0.0 111.802 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.04 134.14 38.16 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 121.72 -0.613 . . . . 0.0 110.756 174.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.4 mt -122.21 125.85 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.121 1.369 . . . . 0.0 110.727 -177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 30.5 p -82.05 134.13 35.33 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.401 -0.812 . . . . 0.0 109.461 174.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.95 -178.4 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.567 1.147 . . . . 0.0 113.227 -175.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 73.4 mt -135.91 163.07 53.04 Favored Pre-proline 0 CA--C 1.544 0.721 0 C-N-CA 127.315 2.246 . . . . 0.0 110.019 -178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -60.59 -17.16 47.17 Favored 'Trans proline' 0 CA--C 1.544 0.994 0 C-N-CA 123.011 2.474 . . . . 0.0 113.899 178.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -74.5 -3.5 31.17 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 125.451 1.5 . . . . 0.0 112.837 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 40.5 t0 52.39 54.21 13.44 Favored Pre-proline 0 CA--C 1.557 1.238 0 C-N-CA 127.336 2.254 . . . . 0.0 114.804 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -75.91 -23.85 11.96 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 123.728 2.952 . . . . 0.0 115.24 -177.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.7 mtt180 47.53 34.0 3.23 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 126.736 2.014 . . . . 0.0 114.946 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 . . . . . 0 N--CA 1.475 0.817 0 C-N-CA 126.41 1.884 . . . . 0.0 113.174 -177.895 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.8 -33.88 1.03 Allowed Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.941 2.21 . . . . 0.0 111.776 -177.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -66.38 -18.28 65.27 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.03 0.915 . . . . 0.0 109.966 170.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.4 m -61.8 -27.29 68.65 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.851 1.661 . . . . 0.0 112.865 175.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.5 m -110.59 139.29 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 124.52 1.128 . . . . 0.0 111.801 -174.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -64.18 -41.34 97.16 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.948 1.299 . . . . 0.0 110.67 177.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mtmm -134.5 141.99 46.91 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 127.013 2.125 . . . . 0.0 109.35 177.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.45 124.62 29.59 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.831 0.853 . . . . 0.0 109.318 175.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 46.36 59.81 15.19 Favored Pre-proline 0 N--CA 1.476 0.867 0 C-N-CA 124.892 1.277 . . . . 0.0 113.182 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -63.25 145.56 93.26 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.254 2.636 . . . . 0.0 111.579 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -78.14 144.11 36.7 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 120.437 -1.415 . . . . 0.0 109.492 175.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -118.99 31.2 6.76 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.88 37.23 69.15 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 123.5 0.572 . . . . 0.0 112.994 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.66 7.19 0.67 Allowed 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 128.806 2.842 . . . . 0.0 114.714 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.402 HG22 HD13 ' A' ' 18' ' ' LEU . 95.0 m -70.57 118.1 12.94 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 120.292 -1.505 . . . . 0.0 111.435 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.9 m -122.52 109.45 14.35 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.71 1.204 . . . . 0.0 110.28 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.402 HD13 HG22 ' A' ' 16' ' ' THR . 6.0 mp -120.25 144.49 47.74 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.328 1.851 . . . . 0.0 113.52 -175.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -93.11 -4.86 51.54 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.711 1.604 . . . . 0.0 113.293 176.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -145.3 154.07 41.94 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.317 1.047 . . . . 0.0 113.176 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.89 -169.77 14.32 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 125.458 1.504 . . . . 0.0 115.138 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.3 m -156.55 114.44 3.26 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 127.645 2.378 . . . . 0.0 107.643 176.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -73.79 78.27 1.58 Allowed 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.998 1.851 . . . . 0.0 115.998 -173.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.7 mt -51.28 -30.0 16.52 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.872 1.804 . . . . 0.0 115.872 -177.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 70.0 mt -70.69 -19.09 62.8 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.928 0.891 . . . . 0.0 113.306 177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -102.95 -33.62 9.24 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.524 1.129 . . . . 0.0 109.537 175.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -65.89 109.61 2.57 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 118.714 0.688 . . . . 0.0 109.981 175.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.9 p -90.61 6.82 42.19 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.235 1.014 . . . . 0.0 112.147 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.24 151.2 27.72 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 125.55 1.548 . . . . 0.0 109.519 -174.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.52 170.47 0.1 Allowed 'General case' 0 C--O 1.239 0.521 0 C-N-CA 125.924 1.689 . . . . 0.0 114.216 -177.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.96 -11.86 5.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.721 -1.127 . . . . 0.0 112.374 171.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.4 t -73.4 -35.42 45.89 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 CA-C-N 119.801 1.182 . . . . 0.0 109.079 171.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 p -131.31 -17.69 2.97 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 116.129 1.899 . . . . 0.0 116.129 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 82.12 14.66 0.49 Allowed 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 116.462 2.023 . . . . 0.0 116.462 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -81.81 147.2 29.5 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.106 -1.621 . . . . 0.0 113.166 179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -121.86 160.73 24.12 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 125.635 1.574 . . . . 0.0 109.999 175.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.269 4.0 p30 52.34 26.56 4.16 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 126.229 1.811 . . . . 0.0 114.875 -175.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.42 99.32 6.35 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 128.914 2.886 . . . . 0.0 111.246 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.11 150.05 18.19 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 115.091 1.515 . . . . 0.0 115.091 176.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.44 167.09 16.73 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 131.206 3.803 . . . . 0.0 109.157 178.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.4 mt -128.76 135.66 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 125.939 1.696 . . . . 0.0 106.983 176.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.44 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.5 172.88 13.28 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.532 0.733 . . . . 0.0 111.754 178.463 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER 57.32 14.21 2.05 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 127.35 2.26 . . . . 0.0 115.575 178.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.8 tttp -50.38 110.4 0.4 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 126.912 2.085 . . . . 0.0 113.187 -178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.8 m -107.38 155.95 19.45 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 125.758 1.623 . . . . 0.0 112.022 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.46 137.78 34.17 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.691 1.596 . . . . 0.0 110.089 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 tttm -132.09 146.66 52.2 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 126.506 1.922 . . . . 0.0 111.559 -177.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -141.0 116.34 10.05 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 177.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -118.81 121.53 40.26 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.494 1.518 . . . . 0.0 113.425 173.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 45.77 20.52 0.07 Allowed 'General case' 0 N--CA 1.486 1.334 0 N-CA-C 118.509 2.781 . . . . 0.0 118.509 172.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.44 -20.69 9.48 Favored Glycine 0 N--CA 1.476 1.353 0 C-N-CA 125.996 1.76 . . . . 0.0 112.984 -177.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -73.95 135.38 43.21 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.586 1.154 . . . . 0.0 108.584 173.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -118.05 129.84 55.8 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 125.284 1.434 . . . . 0.0 108.543 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -122.82 139.52 49.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 C-N-CA 123.697 0.799 . . . . 0.0 109.282 -178.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 49.0 t -132.52 118.06 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 C-N-CA 124.589 1.156 . . . . 0.0 108.806 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.3 p -122.06 133.12 54.79 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.738 0.815 . . . . 0.0 112.1 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -152.93 -171.13 3.84 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.287 -0.883 . . . . 0.0 113.165 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.7 158.14 44.19 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.844 1.257 . . . . 0.0 109.145 -177.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -112.27 140.71 46.75 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 125.276 1.43 . . . . 0.0 108.148 176.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.58 134.19 44.62 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.703 1.201 . . . . 0.0 111.047 -175.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.57 123.25 16.26 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.485 1.114 . . . . 0.0 110.717 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -62.61 -13.53 32.58 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 120.098 -1.626 . . . . 0.0 111.778 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -94.85 -67.97 0.83 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.507 1.123 . . . . 0.0 111.669 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.4 p -92.51 -6.14 50.36 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -177.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 72.9 m80 53.16 20.89 1.96 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.335 1.854 . . . . 0.0 115.115 -177.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.95 146.78 52.47 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.097 1.359 . . . . 0.0 107.583 169.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.6 t -75.59 105.33 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 O-C-N 121.526 -0.734 . . . . 0.0 109.879 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.0 mt -61.54 -45.48 98.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 125.444 1.498 . . . . 0.0 111.145 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.84 167.39 20.84 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.596 1.158 . . . . 0.0 112.478 -176.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -114.97 141.11 48.43 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.794 1.638 . . . . 0.0 109.061 174.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.59 138.98 54.45 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.127 1.771 . . . . 0.0 112.428 -177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -139.13 132.64 30.32 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 124.7 1.2 . . . . 0.0 108.787 174.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -131.94 125.87 32.67 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 174.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.02 135.77 50.33 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -129.36 128.75 43.71 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.047 0.939 . . . . 0.0 110.294 -178.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -129.73 142.88 50.63 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 126.236 1.814 . . . . 0.0 113.702 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.0 mt -109.84 121.93 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 O-C-N 120.954 -1.091 . . . . 0.0 109.662 174.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.7 24.62 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.899 1.28 . . . . 0.0 114.169 177.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.5 t0 51.53 -68.78 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 128.459 2.703 . . . . 0.0 117.409 175.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -135.47 6.59 3.27 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.881 2.072 . . . . 0.0 112.084 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -132.7 170.84 14.65 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 120.71 -1.244 . . . . 0.0 109.877 -175.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -121.82 143.45 49.4 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 125.417 1.487 . . . . 0.0 109.355 176.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -121.72 129.28 52.61 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 126.824 2.05 . . . . 0.0 109.46 -179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -121.59 130.15 53.32 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 125.014 1.326 . . . . 0.0 109.302 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.82 142.17 36.66 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 122.097 0.951 . . . . 0.0 109.484 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 ttp -138.37 145.62 41.3 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 125.758 1.623 . . . . 0.0 109.495 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 tp -151.89 105.55 3.12 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.133 1.773 . . . . 0.0 110.293 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 38.9 t -142.3 136.9 30.2 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 126.273 1.829 . . . . 0.0 110.012 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.52 -34.12 72.23 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.196 0.998 . . . . 0.0 111.851 176.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 tp -96.33 -63.19 1.17 Allowed 'General case' 0 C--O 1.233 0.212 0 C-N-CA 124.973 1.309 . . . . 0.0 111.248 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 79.6 m -64.27 -37.82 88.85 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.836 0.854 . . . . 0.0 113.26 -173.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.25 175.16 13.97 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 117.65 1.82 . . . . 0.0 117.65 173.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.38 118.31 34.2 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.238 1.415 . . . . 0.0 110.215 174.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.76 157.19 44.56 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -178.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -150.24 137.79 19.81 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.334 1.054 . . . . 0.0 110.939 175.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -141.81 152.4 43.68 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.164 1.785 . . . . 0.0 111.706 178.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.47 132.66 37.65 Favored 'General case' 0 N--CA 1.474 0.725 0 O-C-N 121.844 -0.535 . . . . 0.0 110.464 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.3 mt -122.19 128.16 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.398 1.479 . . . . 0.0 111.26 -176.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.3 p -83.2 136.27 34.48 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.185 -0.947 . . . . 0.0 110.308 174.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -134.37 175.86 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.238 1.415 . . . . 0.0 112.768 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 67.6 mt -140.7 157.91 66.77 Favored Pre-proline 0 CA--C 1.545 0.762 0 C-N-CA 126.078 1.751 . . . . 0.0 110.841 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -64.82 -16.22 54.26 Favored 'Trans proline' 0 CA--C 1.543 0.938 0 C-N-CA 123.243 2.629 . . . . 0.0 113.313 177.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -75.03 1.06 13.94 Favored 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 126.051 1.741 . . . . 0.0 113.301 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.8 t70 55.69 68.76 2.22 Favored Pre-proline 0 CA--C 1.55 0.971 0 C-N-CA 126.8 2.04 . . . . 0.0 113.799 -178.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -72.12 -11.73 27.36 Favored 'Trans proline' 0 CA--C 1.541 0.84 0 C-N-CA 123.401 2.734 . . . . 0.0 114.373 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 89.0 mtm-85 49.84 39.46 18.27 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 126.579 1.952 . . . . 0.0 113.219 -178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 126.801 2.041 . . . . 0.0 112.665 -179.615 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.428 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.94 -33.99 1.05 Allowed Glycine 0 CA--C 1.53 1.02 0 C-N-CA 126.947 2.213 . . . . 0.0 111.795 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.37 -17.15 64.6 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-N 117.901 0.85 . . . . 0.0 110.049 169.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 72.4 m -63.14 -26.28 68.74 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 125.794 1.638 . . . . 0.0 112.764 175.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.1 m -112.13 140.05 33.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 C-N-CA 124.146 0.978 . . . . 0.0 111.964 -174.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.71 -38.74 92.02 Favored 'General case' 0 N--CA 1.476 0.859 0 O-C-N 120.921 -1.112 . . . . 0.0 111.109 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -136.56 143.59 43.75 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 126.551 1.94 . . . . 0.0 109.48 174.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -81.35 125.08 29.95 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.102 0.961 . . . . 0.0 109.26 175.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 45.8 59.68 14.72 Favored Pre-proline 0 CA--C 1.547 0.857 0 C-N-CA 124.891 1.276 . . . . 0.0 113.199 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -63.19 145.19 93.27 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 123.176 2.584 . . . . 0.0 111.297 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -78.22 143.9 36.73 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 120.291 -1.506 . . . . 0.0 109.64 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -116.54 31.19 6.88 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.22 12.51 12.33 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 126.034 1.778 . . . . 0.0 116.653 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 121.25 -2.9 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.129 1 C-N-CA 132.602 4.361 . . . . 0.0 115.589 178.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.405 HG22 HD13 ' A' ' 18' ' ' LEU . 89.6 m -64.4 116.36 6.01 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 120.936 -1.103 . . . . 0.0 112.813 -176.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 69.6 m -122.06 109.68 14.86 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.82 1.248 . . . . 0.0 110.194 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.405 HD13 HG22 ' A' ' 16' ' ' THR . 6.1 mp -119.64 145.68 46.23 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 126.229 1.811 . . . . 0.0 113.591 -175.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.52 -5.64 45.56 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.417 1.887 . . . . 0.0 113.243 176.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -148.37 152.15 36.53 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.488 1.115 . . . . 0.0 112.56 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.98 -176.18 16.21 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.462 1.506 . . . . 0.0 114.447 177.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.5 m -150.35 117.72 6.06 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.656 2.382 . . . . 0.0 108.05 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.11 77.32 2.27 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -174.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.6 mt -52.77 -25.26 10.72 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.95 1.834 . . . . 0.0 115.95 -178.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 69.8 mt -74.59 -17.4 60.72 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.967 0.907 . . . . 0.0 112.93 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -104.44 -32.37 9.05 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.606 1.162 . . . . 0.0 110.386 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -66.14 104.37 1.15 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 118.513 0.597 . . . . 0.0 111.291 177.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.3 p -82.05 -2.29 51.3 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 121.059 -1.026 . . . . 0.0 112.911 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.22 149.34 22.84 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 126.077 1.799 . . . . 0.0 109.157 -175.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 7.7 t -52.83 167.22 0.16 Allowed 'General case' 0 C--O 1.238 0.476 0 C-N-CA 125.449 1.5 . . . . 0.0 113.99 -177.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.428 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.17 -11.51 6.41 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 124.287 1.035 . . . . 0.0 112.438 172.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.6 t -72.85 -34.85 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 CA-C-N 119.765 1.166 . . . . 0.0 108.946 171.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 p -131.73 -16.0 3.01 Favored 'General case' 0 CA--C 1.552 1.025 0 N-CA-C 116.394 1.998 . . . . 0.0 116.394 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 83.07 18.9 0.24 Allowed 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 116.6 2.074 . . . . 0.0 116.6 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.0 mmtt -91.59 138.99 31.12 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 119.937 -1.727 . . . . 0.0 114.098 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -112.76 161.39 16.95 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 126.191 1.796 . . . . 0.0 109.575 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.263 4.1 p30 51.55 27.17 3.71 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 126.429 1.892 . . . . 0.0 114.984 -175.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -123.72 98.74 5.96 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 128.713 2.805 . . . . 0.0 111.25 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.16 150.11 16.37 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 114.557 1.318 . . . . 0.0 114.557 176.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.06 165.12 20.1 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 131.018 3.727 . . . . 0.0 108.981 178.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.5 mt -126.93 134.44 66.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 175.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.461 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.9 OUTLIER -149.0 176.7 10.22 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.524 0.73 . . . . 0.0 111.257 178.315 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.0 t30 58.24 18.38 5.35 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 124.829 1.251 . . . . 0.0 113.668 173.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -58.25 113.99 2.2 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 127.017 2.127 . . . . 0.0 112.698 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.3 m -107.52 155.97 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 125.871 1.668 . . . . 0.0 111.754 176.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -139.71 137.82 35.47 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.59 1.556 . . . . 0.0 109.69 177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 ttpt -132.05 146.64 52.19 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 126.269 1.828 . . . . 0.0 111.491 -178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -139.18 116.43 11.13 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 117.923 0.328 . . . . 0.0 111.622 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -118.94 121.48 40.04 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.117 1.367 . . . . 0.0 113.233 173.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 45.07 20.69 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 118.545 2.794 . . . . 0.0 118.545 172.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.45 -21.2 9.3 Favored Glycine 0 N--CA 1.477 1.379 0 C-N-CA 126.159 1.837 . . . . 0.0 113.19 -176.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -73.89 136.91 43.4 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.975 1.31 . . . . 0.0 108.923 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -118.04 129.88 55.83 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 125.544 1.538 . . . . 0.0 108.684 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.6 mp -123.05 138.44 53.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 C-N-CA 124.058 0.943 . . . . 0.0 109.423 -178.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.5 t -132.4 118.2 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 124.683 1.193 . . . . 0.0 108.9 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.2 p -122.02 134.6 54.8 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.812 0.845 . . . . 0.0 111.704 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -153.43 -168.72 3.09 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 120.989 -1.069 . . . . 0.0 113.161 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -141.73 158.33 43.94 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.583 1.153 . . . . 0.0 110.532 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -109.26 138.6 45.37 Favored 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 106.472 -1.677 . . . . 0.0 106.472 172.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.461 ' CD1' HG22 ' A' ' 42' ' ' THR . 5.8 mp -132.85 131.77 41.38 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.722 1.209 . . . . 0.0 110.068 -175.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -57.84 124.06 17.9 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.57 1.148 . . . . 0.0 111.379 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 20.8 tptp -63.43 -12.63 32.66 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.245 -1.534 . . . . 0.0 111.708 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -97.19 -61.71 1.36 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.379 1.072 . . . . 0.0 112.481 -179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.0 p -99.99 -4.58 29.76 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.298 57.8 m80 52.49 19.43 1.18 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 126.527 1.931 . . . . 0.0 115.113 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.14 147.19 53.42 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 169.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.9 t -76.32 101.11 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 O-C-N 121.597 -0.689 . . . . 0.0 110.281 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 52.0 mt -57.45 -46.53 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 125.479 1.512 . . . . 0.0 111.337 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.69 165.1 26.09 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.483 1.113 . . . . 0.0 111.859 -176.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -112.84 143.06 44.75 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.416 1.486 . . . . 0.0 108.341 174.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -125.47 138.42 54.0 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.313 1.445 . . . . 0.0 112.033 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -139.24 132.43 29.78 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 124.579 1.152 . . . . 0.0 108.738 174.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -131.55 126.12 34.07 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 106.459 -1.682 . . . . 0.0 106.459 174.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.59 135.84 49.9 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -129.13 125.91 38.15 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.151 0.98 . . . . 0.0 110.036 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.0 142.88 51.44 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.616 1.966 . . . . 0.0 113.725 -176.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -110.47 122.73 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 O-C-N 121.09 -1.006 . . . . 0.0 110.182 174.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.44 115.8 24.81 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.915 1.286 . . . . 0.0 113.093 177.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 50.73 -77.1 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 127.865 2.466 . . . . 0.0 116.064 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -131.06 10.54 4.97 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.48 1.912 . . . . 0.0 112.119 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -131.07 170.27 14.73 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.665 -1.272 . . . . 0.0 109.141 -177.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -124.89 143.5 50.82 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 125.239 1.416 . . . . 0.0 109.347 177.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -121.42 129.3 52.92 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 126.629 1.972 . . . . 0.0 109.37 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -121.01 129.92 53.58 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 124.974 1.309 . . . . 0.0 108.997 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.9 142.51 36.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.14 0.972 . . . . 0.0 109.33 177.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.6 ttp -138.0 145.02 41.39 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 125.735 1.614 . . . . 0.0 109.157 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.4 tp -151.18 104.96 3.17 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.243 1.817 . . . . 0.0 110.08 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 37.0 t -141.87 136.85 30.93 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 126.27 1.828 . . . . 0.0 109.964 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.0 tp -59.87 -33.84 72.35 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.166 0.986 . . . . 0.0 111.925 176.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -96.4 -62.83 1.21 Allowed 'General case' 0 C--O 1.231 0.116 0 C-N-CA 125.067 1.347 . . . . 0.0 111.299 179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 84.9 m -64.63 -38.91 92.63 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 123.873 0.869 . . . . 0.0 113.122 -173.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.98 174.93 13.84 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 117.671 1.828 . . . . 0.0 117.671 173.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -113.2 117.16 31.14 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.118 1.367 . . . . 0.0 109.827 174.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.67 157.28 44.52 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -150.05 138.78 20.82 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.222 1.009 . . . . 0.0 111.208 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -141.76 152.41 43.76 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.255 1.822 . . . . 0.0 111.77 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.58 134.19 39.09 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.818 -0.551 . . . . 0.0 110.517 174.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.7 mt -122.14 127.66 75.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 125.235 1.414 . . . . 0.0 111.088 -177.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 27.5 p -83.34 131.63 35.05 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.386 -0.821 . . . . 0.0 108.925 173.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.74 179.95 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 -173.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.0 mp -121.82 163.46 31.04 Favored Pre-proline 0 CA--C 1.547 0.86 0 C-N-CA 128.079 2.552 . . . . 0.0 108.396 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -59.02 -15.7 29.01 Favored 'Trans proline' 0 CA--C 1.544 1.0 0 C-N-CA 123.18 2.587 . . . . 0.0 114.729 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -76.85 -2.45 33.49 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.466 1.506 . . . . 0.0 113.31 175.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 39.9 t0 50.47 54.94 16.28 Favored Pre-proline 0 CA--C 1.558 1.27 0 C-N-CA 127.225 2.21 . . . . 0.0 114.897 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -74.64 -20.24 17.98 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.899 3.066 . . . . 0.0 115.476 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 46.96 36.53 4.11 Favored 'General case' 0 N--CA 1.487 1.398 0 C-N-CA 126.917 2.087 . . . . 0.0 115.231 -179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 . . . . . 0 N--CA 1.474 0.75 0 C-N-CA 126.559 1.943 . . . . 0.0 113.259 -179.274 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.865 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.75 -33.81 1.02 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 126.933 2.206 . . . . 0.0 111.793 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -65.74 -19.12 65.78 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 117.957 0.879 . . . . 0.0 109.88 169.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.9 m -62.1 -25.61 67.82 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.199 1.8 . . . . 0.0 113.159 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.3 m -112.04 138.63 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 124.406 1.082 . . . . 0.0 111.716 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -64.06 -38.65 91.86 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.484 1.114 . . . . 0.0 110.953 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -137.1 143.91 42.79 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.55 1.94 . . . . 0.0 109.459 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -81.28 124.88 29.7 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.185 0.994 . . . . 0.0 109.305 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 46.12 59.91 14.82 Favored Pre-proline 0 CA--C 1.547 0.862 0 C-N-CA 124.857 1.263 . . . . 0.0 113.172 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -62.72 146.59 95.21 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.196 2.598 . . . . 0.0 111.617 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -76.38 145.25 39.53 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 120.722 -1.236 . . . . 0.0 109.181 175.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.4 mmm-85 -119.99 28.73 7.92 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -175.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.85 37.11 68.4 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.323 0.487 . . . . 0.0 113.026 -178.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 81.42 7.91 1.09 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 128.762 2.825 . . . . 0.0 114.851 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.43 HG22 HD13 ' A' ' 18' ' ' LEU . 95.2 m -71.27 117.61 13.01 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.24 -1.538 . . . . 0.0 111.412 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.8 m -121.65 109.53 14.87 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.519 1.128 . . . . 0.0 110.426 -179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.43 HD13 HG22 ' A' ' 16' ' ' THR . 6.6 mp -120.95 148.91 43.43 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.894 1.678 . . . . 0.0 114.071 -174.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.41 2.28 39.28 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 127.598 2.359 . . . . 0.0 112.789 176.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -141.51 159.07 42.97 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.373 1.469 . . . . 0.0 113.109 -176.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.01 -173.93 35.18 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 125.104 1.335 . . . . 0.0 116.36 174.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 m -145.49 133.41 21.3 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 128.103 2.561 . . . . 0.0 108.521 178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -86.27 74.25 10.04 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.1 -25.56 13.42 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.088 1.514 . . . . 0.0 115.088 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.1 mt -71.21 -19.97 62.32 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.262 1.025 . . . . 0.0 113.163 175.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -101.4 -33.5 9.97 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 124.651 1.18 . . . . 0.0 110.071 174.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -65.2 111.91 3.18 Favored 'General case' 0 N--CA 1.468 0.466 0 O-C-N 121.771 -0.581 . . . . 0.0 110.245 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.9 p -90.09 2.76 54.9 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.479 1.112 . . . . 0.0 112.298 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.49 149.98 26.29 Favored Glycine 0 CA--C 1.534 1.244 0 N-CA-C 109.248 -1.541 . . . . 0.0 109.248 -174.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.4 t -53.43 168.66 0.15 Allowed 'General case' 0 C--O 1.239 0.547 0 C-N-CA 125.409 1.483 . . . . 0.0 114.106 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.435 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.52 -11.69 6.19 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 124.35 1.06 . . . . 0.0 112.424 171.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.0 t -73.45 -35.4 45.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 CA-C-N 119.758 1.163 . . . . 0.0 109.044 172.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.1 p -131.18 -16.55 3.15 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 81.38 16.25 0.52 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 116.353 1.983 . . . . 0.0 116.353 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -84.23 146.89 27.56 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.105 -1.622 . . . . 0.0 113.235 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -122.1 162.27 21.57 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 125.635 1.574 . . . . 0.0 109.851 174.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.283 4.0 p30 52.85 26.09 4.35 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 126.187 1.795 . . . . 0.0 114.812 -175.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -123.84 99.4 6.26 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 128.751 2.82 . . . . 0.0 111.572 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.36 150.31 17.97 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 175.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.52 166.08 18.65 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 131.336 3.854 . . . . 0.0 109.163 178.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.5 mt -128.92 135.05 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 125.842 1.657 . . . . 0.0 106.759 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.437 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.92 172.76 13.67 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.356 0.662 . . . . 0.0 111.848 178.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.279 0.0 OUTLIER 58.8 14.86 3.45 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 127.521 2.328 . . . . 0.0 115.004 178.822 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -51.68 111.21 0.56 Allowed 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.719 2.008 . . . . 0.0 113.028 -178.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.6 m -107.48 156.06 19.39 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 125.44 1.496 . . . . 0.0 112.102 178.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.08 137.82 34.84 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.684 1.593 . . . . 0.0 110.046 178.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -131.85 146.64 52.24 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 126.435 1.894 . . . . 0.0 111.065 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -138.44 116.22 11.49 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 120.833 0.349 . . . . 0.0 110.7 175.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -118.84 121.47 40.09 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.346 1.458 . . . . 0.0 113.268 174.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 45.41 20.96 0.06 Allowed 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 118.374 2.731 . . . . 0.0 118.374 172.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.86 -21.16 9.71 Favored Glycine 0 N--CA 1.477 1.369 0 C-N-CA 126.25 1.881 . . . . 0.0 113.26 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -74.97 137.16 41.4 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.007 1.323 . . . . 0.0 108.984 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -117.93 129.79 55.83 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.696 1.598 . . . . 0.0 108.679 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.408 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.99 139.5 50.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 C-N-CA 123.96 0.904 . . . . 0.0 109.433 -177.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.0 t -132.53 118.17 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 C-N-CA 124.814 1.246 . . . . 0.0 108.929 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 47.9 p -121.93 135.33 54.86 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.426 0.691 . . . . 0.0 112.123 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -153.45 -171.08 3.79 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 178.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.69 158.16 44.16 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.096 1.358 . . . . 0.0 108.776 -178.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -112.52 141.34 46.39 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 125.158 1.383 . . . . 0.0 107.927 176.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.437 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.98 134.47 44.53 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.557 1.143 . . . . 0.0 110.968 -175.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -59.93 123.81 18.22 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.335 1.054 . . . . 0.0 110.597 177.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -63.11 -12.76 29.46 Favored 'General case' 0 N--CA 1.48 1.048 0 O-C-N 120.155 -1.591 . . . . 0.0 111.832 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -95.63 -68.32 0.81 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.581 1.152 . . . . 0.0 111.597 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.6 p -91.97 -6.45 51.24 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 115.014 1.487 . . . . 0.0 115.014 -177.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 71.9 m80 53.49 20.43 2.05 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 126.347 1.859 . . . . 0.0 115.061 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.18 146.65 53.2 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.965 1.306 . . . . 0.0 107.66 169.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.6 t -75.5 105.27 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 O-C-N 121.71 -0.618 . . . . 0.0 109.96 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.4 mt -61.6 -45.37 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.415 1.486 . . . . 0.0 111.157 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.59 167.29 21.46 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.547 1.139 . . . . 0.0 112.454 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -115.25 140.59 48.97 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.783 1.633 . . . . 0.0 109.038 174.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -122.63 138.87 54.46 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.126 1.771 . . . . 0.0 112.453 -177.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -140.15 131.05 26.03 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.451 1.1 . . . . 0.0 108.966 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -130.13 126.45 37.56 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 106.772 -1.566 . . . . 0.0 106.772 173.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.408 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -128.93 135.81 49.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.899 0.857 . . . . 0.0 108.74 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -128.58 126.86 41.17 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.103 0.961 . . . . 0.0 110.022 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.45 142.86 51.3 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.502 1.921 . . . . 0.0 113.645 -176.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.1 122.02 63.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.154 -0.967 . . . . 0.0 109.815 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.3 ptp -119.41 115.69 24.62 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.654 1.181 . . . . 0.0 113.16 177.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 49.49 -76.33 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 127.875 2.47 . . . . 0.0 116.787 177.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -130.7 12.81 5.36 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.174 2.19 . . . . 0.0 112.097 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -136.58 168.81 18.78 Favored 'General case' 0 CA--C 1.537 0.479 0 O-C-N 120.984 -1.073 . . . . 0.0 109.295 -178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -122.27 143.53 49.55 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.017 1.327 . . . . 0.0 109.462 175.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -121.7 130.93 53.8 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 126.745 2.018 . . . . 0.0 109.782 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -122.02 130.16 53.05 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 125.102 1.361 . . . . 0.0 109.144 178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.91 142.61 36.46 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.845 0.831 . . . . 0.0 109.22 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.4 ttp -137.57 145.53 42.95 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 125.83 1.652 . . . . 0.0 109.315 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 tp -152.04 105.39 3.07 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 126.115 1.766 . . . . 0.0 110.318 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.2 t -141.96 136.62 30.54 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 126.218 1.807 . . . . 0.0 109.953 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.8 tp -59.58 -34.4 72.66 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.045 0.938 . . . . 0.0 111.851 176.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.0 tp -95.71 -63.48 1.15 Allowed 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.855 1.262 . . . . 0.0 110.975 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 72.9 m -64.25 -37.3 86.98 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 113.499 0.925 . . . . 0.0 113.499 -173.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.31 175.16 14.0 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 117.559 1.784 . . . . 0.0 117.559 172.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -111.76 120.81 43.26 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.185 1.394 . . . . 0.0 110.017 174.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.78 157.22 44.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.897 1.073 . . . . 0.0 113.897 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -150.91 137.82 19.06 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.978 0.911 . . . . 0.0 110.79 174.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -141.89 152.43 43.57 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.019 1.728 . . . . 0.0 111.542 178.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.46 135.54 40.59 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.786 -0.571 . . . . 0.0 110.547 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.2 mt -122.19 125.42 72.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 124.836 1.254 . . . . 0.0 110.406 -178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.9 p -83.85 136.81 33.98 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.785 -0.572 . . . . 0.0 109.924 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.5 pt -129.83 164.56 32.21 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 125.188 1.395 . . . . 0.0 113.431 -174.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 56.9 mt -146.46 156.41 49.36 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 126.127 1.771 . . . . 0.0 109.949 176.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.56 -16.79 55.27 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 123.038 2.492 . . . . 0.0 113.153 177.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -75.68 0.85 16.27 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 126.339 1.856 . . . . 0.0 114.036 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.9 t0 52.12 66.53 4.97 Favored Pre-proline 0 CA--C 1.555 1.138 0 C-N-CA 126.346 1.858 . . . . 0.0 113.899 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -73.53 -44.84 0.47 Allowed 'Trans proline' 0 C--N 1.354 0.862 0 C-N-CA 123.428 2.752 . . . . 0.0 111.551 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -145.95 -10.55 0.51 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 126.636 1.974 . . . . 0.0 115.061 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 . . . . . 0 N--CA 1.472 0.658 0 C-N-CA 126.156 1.783 . . . . 0.0 109.914 179.707 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.452 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.19 -34.89 1.09 Allowed Glycine 0 CA--C 1.532 1.103 0 C-N-CA 126.87 2.176 . . . . 0.0 111.358 -176.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -66.15 -18.72 65.52 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 121.725 -0.867 . . . . 0.0 109.885 169.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 75.0 m -61.63 -26.84 68.25 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.207 1.803 . . . . 0.0 112.84 174.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 m -111.19 139.67 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 124.319 1.048 . . . . 0.0 111.847 -174.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -64.6 -40.71 95.99 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.939 1.296 . . . . 0.0 110.467 177.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -134.31 141.84 47.06 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 127.041 2.136 . . . . 0.0 109.27 177.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -81.89 123.56 28.95 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.616 0.766 . . . . 0.0 109.057 175.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 47.29 60.14 15.56 Favored Pre-proline 0 CA--C 1.547 0.845 0 C-N-CA 124.726 1.21 . . . . 0.0 113.083 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -62.81 146.45 95.05 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 123.247 2.632 . . . . 0.0 111.407 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -78.24 145.34 35.53 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.632 -1.292 . . . . 0.0 109.424 175.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.7 mmm-85 -119.18 28.79 8.03 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -174.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 56.55 37.25 74.52 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.325 0.488 . . . . 0.0 112.908 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 81.99 7.57 0.98 Allowed 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 128.676 2.791 . . . . 0.0 114.746 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.412 HG22 HD13 ' A' ' 18' ' ' LEU . 95.8 m -70.83 118.68 13.91 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.33 -1.481 . . . . 0.0 111.521 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.9 m -122.36 110.02 15.13 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.671 1.188 . . . . 0.0 110.349 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.412 HD13 HG22 ' A' ' 16' ' ' THR . 5.7 mp -118.83 144.66 46.21 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.315 1.846 . . . . 0.0 113.915 -175.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.24 -7.35 39.21 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.944 2.098 . . . . 0.0 113.585 177.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -148.23 147.87 29.86 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.816 1.246 . . . . 0.0 111.469 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.63 -173.92 18.12 Favored Glycine 0 CA--C 1.536 1.361 0 C-N-CA 124.912 1.244 . . . . 0.0 115.118 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.5 m -152.67 128.6 10.29 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 127.855 2.462 . . . . 0.0 108.446 177.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -87.95 75.84 8.74 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -175.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -53.46 -25.54 16.69 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 115.412 1.634 . . . . 0.0 115.412 -178.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.8 mt -71.91 -18.61 62.02 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.98 0.912 . . . . 0.0 113.143 175.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -102.99 -33.71 9.19 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.783 1.233 . . . . 0.0 109.661 174.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -65.16 111.18 2.82 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 121.507 -0.745 . . . . 0.0 110.169 175.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.0 p -90.39 2.82 55.21 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 124.288 1.035 . . . . 0.0 112.334 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.2 148.98 24.86 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 125.238 1.399 . . . . 0.0 109.686 -175.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 7.2 t -53.35 166.87 0.23 Allowed 'General case' 0 C--O 1.239 0.527 0 C-N-CA 125.38 1.472 . . . . 0.0 114.136 -177.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.452 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -125.36 -11.59 6.87 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.313 1.045 . . . . 0.0 112.295 172.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.65 -35.23 43.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 119.817 1.19 . . . . 0.0 109.139 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.6 p -131.92 -14.98 3.06 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 79.45 21.19 0.62 Allowed 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -89.58 146.22 24.72 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 119.814 -1.804 . . . . 0.0 113.104 178.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -121.68 162.34 20.91 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 125.606 1.562 . . . . 0.0 109.944 174.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.285 4.0 p30 52.9 26.19 4.48 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.134 1.774 . . . . 0.0 114.852 -175.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -123.77 99.61 6.36 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 128.81 2.844 . . . . 0.0 111.448 -177.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.24 150.06 17.97 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 175.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.16 166.17 18.18 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 131.333 3.853 . . . . 0.0 109.346 178.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 93.6 mt -128.39 134.06 65.52 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 C-N-CA 126.002 1.721 . . . . 0.0 106.878 176.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.437 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -146.95 171.48 15.18 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.267 0.627 . . . . 0.0 111.572 178.425 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.281 0.0 OUTLIER 58.22 13.92 2.56 Favored 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 127.292 2.237 . . . . 0.0 115.134 179.121 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -51.95 108.1 0.25 Allowed 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 127.256 2.223 . . . . 0.0 112.43 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.7 m -107.48 156.15 19.28 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.575 1.55 . . . . 0.0 112.515 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.7 tt -139.79 137.76 35.29 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.15 1.38 . . . . 0.0 110.606 178.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -132.08 146.65 52.19 Favored 'General case' 0 CA--C 1.522 -0.125 0 C-N-CA 127.138 2.175 . . . . 0.0 111.233 -178.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -139.05 116.35 11.14 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.804 0.335 . . . . 0.0 111.487 176.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -118.92 121.39 39.86 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.26 1.424 . . . . 0.0 113.356 174.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 46.03 20.67 0.08 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 118.372 2.73 . . . . 0.0 118.372 172.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.63 -21.12 9.91 Favored Glycine 0 CA--C 1.536 1.375 0 C-N-CA 126.204 1.859 . . . . 0.0 113.212 -177.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -74.78 136.2 41.68 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.761 1.224 . . . . 0.0 108.781 174.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -118.06 129.82 55.78 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.543 1.537 . . . . 0.0 108.632 176.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.404 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.65 139.2 50.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 123.875 0.87 . . . . 0.0 109.446 -178.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.5 t -132.42 118.2 34.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 C-N-CA 124.995 1.318 . . . . 0.0 109.002 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.8 p -121.96 135.67 54.87 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 123.381 0.673 . . . . 0.0 111.743 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.3 p90 -152.23 -172.34 4.2 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.179 -0.95 . . . . 0.0 113.193 178.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.7 158.18 44.14 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 124.838 1.255 . . . . 0.0 108.616 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 41.4 m-70 -112.84 141.35 46.75 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.035 1.334 . . . . 0.0 108.069 176.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.437 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.97 134.73 44.88 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.573 1.149 . . . . 0.0 110.996 -175.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -60.33 123.7 18.05 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.293 1.037 . . . . 0.0 110.721 177.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -62.94 -13.46 34.88 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.064 -1.647 . . . . 0.0 111.712 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -94.94 -67.91 0.83 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.443 1.097 . . . . 0.0 111.62 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.2 p -92.56 -6.29 49.9 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 -177.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 73.3 m80 53.52 20.71 2.18 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.407 1.883 . . . . 0.0 115.045 -177.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.15 146.59 53.28 Favored 'General case' 0 CA--C 1.54 0.571 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 169.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 80.7 t -75.8 104.69 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 O-C-N 121.647 -0.658 . . . . 0.0 109.881 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.6 mt -60.9 -45.94 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 125.678 1.591 . . . . 0.0 111.24 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.14 167.84 21.63 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.615 1.166 . . . . 0.0 112.579 -175.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.53 140.4 49.42 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 125.805 1.642 . . . . 0.0 109.129 174.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -122.44 139.83 53.41 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.309 1.844 . . . . 0.0 112.642 -177.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -140.18 133.36 29.65 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.625 1.17 . . . . 0.0 108.909 174.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -132.49 125.89 31.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 173.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.404 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -128.65 135.78 49.76 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 179.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -128.94 127.74 42.35 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.199 0.999 . . . . 0.0 110.286 -178.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.81 142.87 50.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.369 1.868 . . . . 0.0 113.753 -176.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -109.98 121.99 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 O-C-N 121.127 -0.983 . . . . 0.0 110.028 175.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.37 115.74 24.74 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.883 1.273 . . . . 0.0 113.903 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.7 t0 52.67 -70.63 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 128.421 2.688 . . . . 0.0 116.703 177.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -137.16 8.96 2.97 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.698 1.999 . . . . 0.0 111.956 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -130.1 170.28 14.22 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 120.815 -1.178 . . . . 0.0 109.213 -175.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -123.35 143.49 50.06 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 125.088 1.355 . . . . 0.0 109.321 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -121.63 129.38 52.77 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 126.725 2.01 . . . . 0.0 109.271 -179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -121.19 129.89 53.44 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 124.924 1.289 . . . . 0.0 109.129 178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.89 141.89 36.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 122.047 0.927 . . . . 0.0 109.519 177.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.3 ttp -138.1 145.45 41.69 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 125.794 1.638 . . . . 0.0 109.421 177.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.65 105.66 3.17 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 126.228 1.811 . . . . 0.0 110.348 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 40.2 t -142.12 136.71 30.34 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 126.249 1.82 . . . . 0.0 110.015 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.8 tp -59.5 -34.48 72.65 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.227 1.011 . . . . 0.0 111.743 176.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.4 tp -95.65 -63.7 1.13 Allowed 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.967 1.307 . . . . 0.0 111.04 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.0 m -64.39 -36.91 85.68 Favored 'General case' 0 N--CA 1.449 -0.514 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -173.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.62 174.73 13.85 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 117.858 1.903 . . . . 0.0 117.858 173.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -113.09 118.42 34.72 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.259 1.424 . . . . 0.0 110.191 174.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.77 157.24 44.52 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 -178.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -150.87 137.75 19.05 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.265 1.026 . . . . 0.0 111.121 175.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -141.74 152.49 43.86 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 126.187 1.795 . . . . 0.0 111.693 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -135.5 133.7 38.74 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 121.792 -0.567 . . . . 0.0 110.55 174.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.2 mt -122.25 126.84 74.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.233 1.413 . . . . 0.0 111.124 -177.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.2 p -81.45 134.05 35.49 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.208 -0.932 . . . . 0.0 109.099 173.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.2 pp -133.95 -175.71 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.512 1.125 . . . . 0.0 113.983 -174.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 72.6 mt -134.89 164.6 42.88 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 128.658 2.783 . . . . 0.0 108.85 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -59.15 -14.94 25.95 Favored 'Trans proline' 0 CA--C 1.545 1.034 0 C-N-CA 123.162 2.575 . . . . 0.0 114.787 179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -76.93 -2.69 34.98 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.347 1.459 . . . . 0.0 113.033 174.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.8 t0 50.83 56.19 17.0 Favored Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 127.36 2.264 . . . . 0.0 115.063 -178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -70.94 -22.61 26.43 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.226 2.617 . . . . 0.0 114.185 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . 0.271 9.3 ptm180 36.3 45.36 0.34 Allowed 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 128.024 2.53 . . . . 0.0 116.117 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.4 pt20 . . . . . 0 CA--C 1.544 0.714 0 C-N-CA 126.394 1.878 . . . . 0.0 113.49 -179.813 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.861 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.7 -33.81 1.01 Allowed Glycine 0 CA--C 1.531 1.057 0 C-N-CA 126.907 2.194 . . . . 0.0 111.888 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.46 -18.25 65.25 Favored 'General case' 0 CA--C 1.548 0.885 0 CA-C-N 118.11 0.955 . . . . 0.0 109.975 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.2 m -61.8 -27.06 68.49 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.925 1.69 . . . . 0.0 112.908 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 m -111.09 139.0 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.69 1.196 . . . . 0.0 111.72 -174.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.04 -38.25 90.25 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 120.921 -1.112 . . . . 0.0 111.228 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -137.07 144.15 42.98 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 126.58 1.952 . . . . 0.0 109.369 175.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -81.63 124.64 29.72 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.077 0.951 . . . . 0.0 109.321 175.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 45.96 59.71 14.88 Favored Pre-proline 0 N--CA 1.475 0.823 0 C-N-CA 124.944 1.298 . . . . 0.0 113.43 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -63.2 145.14 93.23 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.283 2.656 . . . . 0.0 111.681 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.6 m-20 -76.48 143.04 40.74 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.916 -1.115 . . . . 0.0 109.262 176.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.53 31.05 6.76 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -175.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.9 36.7 67.44 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 123.371 0.51 . . . . 0.0 113.146 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 83.19 7.85 0.7 Allowed 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 128.694 2.797 . . . . 0.0 114.779 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.411 HG22 HD13 ' A' ' 18' ' ' LEU . 96.0 m -70.84 117.75 12.75 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.247 -1.533 . . . . 0.0 111.595 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.2 m -121.64 109.8 15.2 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.48 1.112 . . . . 0.0 110.417 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD13 HG22 ' A' ' 16' ' ' THR . 5.9 mp -119.28 144.85 46.57 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 126.312 1.845 . . . . 0.0 113.618 -175.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' HB3' ' CD2' ' A' ' 73' ' ' TYR . 12.8 pt-20 -96.13 -2.09 47.17 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.372 1.469 . . . . 0.0 113.128 176.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -148.96 155.19 40.47 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.346 1.058 . . . . 0.0 112.718 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.07 -174.98 15.66 Favored Glycine 0 CA--C 1.535 1.343 0 C-N-CA 125.676 1.608 . . . . 0.0 114.324 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.4 m -150.18 116.94 5.85 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 127.472 2.309 . . . . 0.0 108.052 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -74.12 77.71 1.75 Allowed 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 116.128 1.899 . . . . 0.0 116.128 -173.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 mt -51.44 -30.15 18.5 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.8 mt -70.37 -20.19 62.97 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.861 0.864 . . . . 0.0 113.286 177.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -101.04 -33.66 10.06 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.161 0.984 . . . . 0.0 109.788 174.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -65.98 109.9 2.71 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.263 0.483 . . . . 0.0 110.01 175.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.6 p -91.06 7.73 38.99 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.237 1.015 . . . . 0.0 112.224 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.67 150.79 26.85 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 125.29 1.424 . . . . 0.0 109.631 -175.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.1 t -53.56 170.06 0.12 Allowed 'General case' 0 C--O 1.24 0.556 0 C-N-CA 125.785 1.634 . . . . 0.0 114.268 -177.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.44 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.33 -11.58 5.73 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.377 171.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -73.9 -35.36 42.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 119.702 1.137 . . . . 0.0 109.003 171.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.0 p -131.68 -17.08 2.9 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 116.262 1.949 . . . . 0.0 116.262 -178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 82.02 14.31 0.52 Allowed 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -82.24 145.49 30.0 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 119.971 -1.706 . . . . 0.0 113.184 179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -119.97 160.66 22.32 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 125.798 1.639 . . . . 0.0 110.027 175.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.2 26.69 4.1 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 126.314 1.846 . . . . 0.0 114.934 -175.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.41 98.96 6.17 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 128.751 2.82 . . . . 0.0 111.372 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.49 150.45 19.62 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 176.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.16 166.23 18.07 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 131.283 3.833 . . . . 0.0 108.994 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 88.9 mt -128.78 134.96 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 C-N-CA 125.839 1.656 . . . . 0.0 106.855 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.441 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.64 173.17 12.99 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.278 0.631 . . . . 0.0 111.911 178.578 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.281 0.0 OUTLIER 57.43 16.54 3.28 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 127.396 2.278 . . . . 0.0 115.184 178.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -53.2 112.99 0.98 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.671 1.988 . . . . 0.0 113.291 -178.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.2 m -107.44 156.16 19.26 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 125.795 1.638 . . . . 0.0 112.104 176.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -139.69 137.81 35.49 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.724 1.61 . . . . 0.0 109.698 177.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -132.09 146.63 52.18 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 126.256 1.823 . . . . 0.0 111.451 -178.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -139.22 116.41 11.1 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.753 0.311 . . . . 0.0 111.647 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.85 121.42 39.96 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.049 1.34 . . . . 0.0 113.302 173.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.0 t70 44.98 20.98 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 118.401 2.741 . . . . 0.0 118.401 172.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.19 -21.16 9.48 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 126.184 1.85 . . . . 0.0 113.253 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -73.75 136.76 43.67 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.95 1.3 . . . . 0.0 108.901 174.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -118.02 129.79 55.79 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 125.431 1.492 . . . . 0.0 108.704 176.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.14 138.61 52.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 C-N-CA 124.056 0.942 . . . . 0.0 109.497 -178.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.8 t -132.46 118.1 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.432 0 C-N-CA 124.672 1.189 . . . . 0.0 108.894 177.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 48.4 p -121.89 134.99 54.86 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 123.683 0.793 . . . . 0.0 111.979 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.7 p90 -154.19 -171.27 3.81 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 121.079 -1.013 . . . . 0.0 113.525 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.67 158.21 44.1 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.844 1.257 . . . . 0.0 109.099 -178.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -112.46 141.33 46.34 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.167 1.387 . . . . 0.0 108.389 177.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.441 HD11 HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.45 134.78 45.5 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.712 1.205 . . . . 0.0 111.023 -176.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.76 123.4 16.85 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.457 1.103 . . . . 0.0 110.593 177.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -63.06 -13.42 35.67 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.128 -1.607 . . . . 0.0 111.637 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -94.91 -68.13 0.82 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.454 1.102 . . . . 0.0 111.647 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.6 p -92.1 -6.36 51.02 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 115.015 1.487 . . . . 0.0 115.015 -177.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.3 73.3 m80 53.67 21.04 2.43 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.374 1.87 . . . . 0.0 114.948 -177.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.11 146.82 52.22 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.123 1.369 . . . . 0.0 107.572 169.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 80.8 t -75.56 104.81 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.427 0 O-C-N 121.502 -0.749 . . . . 0.0 109.986 177.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.42 -45.86 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 125.516 1.526 . . . . 0.0 111.208 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.35 168.75 20.01 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.487 1.115 . . . . 0.0 112.778 -175.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.93 140.2 49.75 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 126.067 1.747 . . . . 0.0 109.245 174.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -123.06 139.73 53.76 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 126.102 1.761 . . . . 0.0 112.725 -177.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -140.19 133.1 29.26 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.624 1.17 . . . . 0.0 108.703 174.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.4 ' CD2' ' HB3' ' A' ' 19' ' ' GLU . 11.8 t80 -131.98 126.66 34.53 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 174.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.28 135.85 49.3 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -129.22 127.42 41.24 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.146 0.978 . . . . 0.0 109.926 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.29 142.94 50.99 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.387 1.875 . . . . 0.0 113.51 -176.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.3 mt -109.76 121.97 63.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.07 0 O-C-N 121.0 -1.062 . . . . 0.0 109.75 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.43 115.68 24.57 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.811 1.245 . . . . 0.0 114.133 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.2 t0 51.27 -68.62 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 128.483 2.713 . . . . 0.0 117.457 175.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -135.36 6.23 3.28 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 126.931 2.092 . . . . 0.0 112.178 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -132.59 170.7 14.81 Favored 'General case' 0 CA--C 1.534 0.364 0 O-C-N 120.77 -1.206 . . . . 0.0 109.929 -175.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -121.83 143.52 49.36 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 125.039 1.336 . . . . 0.0 109.398 175.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -121.87 130.97 53.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 126.84 2.056 . . . . 0.0 109.461 -178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -122.45 130.43 53.06 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 124.97 1.308 . . . . 0.0 109.2 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.9 142.98 36.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 122.078 0.942 . . . . 0.0 109.581 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 53.3 ttp -138.86 145.04 39.51 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 125.871 1.668 . . . . 0.0 109.328 177.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 tp -151.98 105.27 3.07 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.897 1.679 . . . . 0.0 110.296 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.7 t -141.99 136.81 30.68 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.361 1.864 . . . . 0.0 110.1 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.1 tp -59.16 -34.48 72.14 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.265 1.026 . . . . 0.0 111.817 176.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.8 tp -96.15 -63.71 1.12 Allowed 'General case' 0 C--O 1.231 0.12 0 C-N-CA 125.021 1.328 . . . . 0.0 111.315 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 75.5 m -63.8 -37.47 87.5 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -173.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.55 175.27 14.03 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 172.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -112.41 118.7 35.9 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 125.699 1.6 . . . . 0.0 110.285 175.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.78 157.24 44.52 Favored 'General case' 0 CA--C 1.538 0.515 0 N-CA-C 114.179 1.177 . . . . 0.0 114.179 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -150.78 137.71 19.11 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.186 0.994 . . . . 0.0 110.86 174.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -141.75 152.47 43.83 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.32 1.848 . . . . 0.0 111.84 178.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.23 132.59 36.06 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.823 -0.548 . . . . 0.0 110.692 174.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 4.6 mt -122.22 127.29 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 125.365 1.466 . . . . 0.0 111.155 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.0 p -81.4 138.73 35.56 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.224 -0.923 . . . . 0.0 110.271 174.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -134.99 176.54 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 124.949 1.3 . . . . 0.0 112.695 -177.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 67.3 mt -140.52 161.13 56.41 Favored Pre-proline 0 CA--C 1.545 0.775 0 C-N-CA 126.55 1.94 . . . . 0.0 110.504 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -61.94 -17.9 58.26 Favored 'Trans proline' 0 CA--C 1.543 0.95 0 C-N-CA 123.198 2.599 . . . . 0.0 113.363 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -74.06 -2.14 23.07 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.78 1.632 . . . . 0.0 113.085 175.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 29.2 t0 52.58 58.14 14.9 Favored Pre-proline 0 CA--C 1.554 1.12 0 C-N-CA 126.899 2.08 . . . . 0.0 114.642 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -69.56 -24.24 30.81 Favored 'Trans proline' 0 CA--C 1.542 0.893 0 C-N-CA 123.189 2.593 . . . . 0.0 112.649 178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 38.73 45.4 0.91 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 128.664 2.786 . . . . 0.0 115.789 176.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 . . . . . 0 N--CA 1.474 0.75 0 C-N-CA 125.127 1.371 . . . . 0.0 114.484 -178.491 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.443 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.75 -34.05 1.02 Allowed Glycine 0 CA--C 1.531 1.057 0 C-N-CA 127.021 2.248 . . . . 0.0 111.834 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -66.0 -18.33 65.27 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 118.033 0.917 . . . . 0.0 109.998 169.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.7 m -61.93 -26.77 68.38 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 125.736 1.614 . . . . 0.0 112.855 175.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 12.7 m -111.33 138.79 38.31 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 124.375 1.07 . . . . 0.0 112.197 -174.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -64.99 -40.19 94.59 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.861 1.265 . . . . 0.0 110.693 177.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 11' ' ' PRO . 28.7 mtmm -134.7 138.8 44.71 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.626 1.971 . . . . 0.0 108.969 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -81.09 124.65 29.39 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.693 0.797 . . . . 0.0 109.272 175.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 46.1 59.88 14.83 Favored Pre-proline 0 N--CA 1.476 0.849 0 C-N-CA 124.844 1.258 . . . . 0.0 113.027 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.404 ' HB3' ' HE2' ' A' ' 8' ' ' LYS . 71.7 Cg_endo -62.98 144.51 93.19 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.42 2.747 . . . . 0.0 111.615 -178.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -77.29 144.3 38.21 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 120.358 -1.464 . . . . 0.0 109.43 175.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.6 mmm-85 -116.92 30.01 7.58 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.11 0.964 . . . . 0.0 113.522 -176.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.33 12.67 13.25 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 126.156 1.836 . . . . 0.0 116.604 -179.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 120.21 -2.49 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.132 1 C-N-CA 132.662 4.385 . . . . 0.0 115.576 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.419 HG22 HD13 ' A' ' 18' ' ' LEU . 88.7 m -65.31 117.47 7.9 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 120.881 -1.137 . . . . 0.0 112.737 -175.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.0 m -122.41 108.71 13.51 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.752 1.221 . . . . 0.0 110.121 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.419 HD13 HG22 ' A' ' 16' ' ' THR . 6.1 mp -118.83 146.63 44.7 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 126.043 1.737 . . . . 0.0 113.489 -175.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.41 -6.21 44.61 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 126.403 1.881 . . . . 0.0 113.209 176.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -148.78 152.45 36.57 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.498 1.119 . . . . 0.0 112.591 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.15 -175.77 16.38 Favored Glycine 0 CA--C 1.535 1.327 0 C-N-CA 125.535 1.541 . . . . 0.0 114.34 177.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -151.72 117.49 5.45 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.353 2.261 . . . . 0.0 108.337 176.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -74.86 76.71 2.13 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -174.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.3 mt -52.05 -30.43 25.66 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 -178.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.8 mt -69.49 -16.48 63.47 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.72 1.208 . . . . 0.0 113.567 176.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -107.89 -30.68 8.36 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 124.841 1.256 . . . . 0.0 109.982 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -67.7 112.16 4.65 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.982 0.81 . . . . 0.0 109.96 174.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 p -93.28 8.74 39.12 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.6 1.16 . . . . 0.0 112.537 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.21 150.12 25.42 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.175 1.369 . . . . 0.0 109.909 -176.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -53.67 169.87 0.13 Allowed 'General case' 0 C--O 1.239 0.52 0 C-N-CA 125.955 1.702 . . . . 0.0 114.094 -177.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.443 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -128.59 -12.04 4.95 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 114.529 -1.214 . . . . 0.0 112.584 171.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 36.6 t -72.94 -35.49 49.06 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 CA-C-N 119.946 1.248 . . . . 0.0 109.043 171.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.6 p -130.77 -17.62 3.17 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 115.971 1.841 . . . . 0.0 115.971 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.53 16.73 0.48 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 126.541 1.936 . . . . 0.0 116.059 179.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -82.88 149.52 27.06 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 119.73 -1.856 . . . . 0.0 112.895 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -125.48 160.98 28.13 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.607 1.563 . . . . 0.0 109.989 175.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.274 4.0 p30 52.88 26.06 4.37 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 126.119 1.768 . . . . 0.0 114.551 -174.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -123.15 98.95 6.11 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 128.918 2.887 . . . . 0.0 111.326 -177.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.06 149.42 15.99 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 176.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.33 166.53 17.65 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 131.02 3.728 . . . . 0.0 109.172 178.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.8 mt -127.57 134.34 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 C-N-CA 125.629 1.572 . . . . 0.0 106.881 175.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.457 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -149.61 177.81 9.42 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.692 0.797 . . . . 0.0 111.07 178.002 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 38.1 t30 57.63 20.18 6.07 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.627 1.171 . . . . 0.0 113.479 174.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -61.32 114.68 3.32 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 127.182 2.193 . . . . 0.0 112.833 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.5 m -107.53 156.09 19.38 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 125.822 1.649 . . . . 0.0 111.783 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -139.63 137.7 35.51 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.581 1.552 . . . . 0.0 109.698 177.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -131.94 146.63 52.21 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 126.576 1.951 . . . . 0.0 111.097 -178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -138.95 116.32 11.19 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.764 0.316 . . . . 0.0 110.818 176.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -118.79 121.43 40.05 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.007 1.323 . . . . 0.0 113.096 175.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.1 t70 45.01 20.43 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.31 0 N-CA-C 118.389 2.737 . . . . 0.0 118.389 171.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.34 -21.03 9.44 Favored Glycine 0 N--CA 1.478 1.439 0 C-N-CA 126.302 1.906 . . . . 0.0 113.271 -176.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -74.55 137.45 42.41 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.242 1.417 . . . . 0.0 108.956 174.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -118.1 129.86 55.79 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.56 1.544 . . . . 0.0 108.735 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.414 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.84 139.1 51.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.152 0 C-N-CA 123.844 0.858 . . . . 0.0 109.421 -178.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.49 118.05 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 124.8 1.24 . . . . 0.0 109.028 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 49.7 p -121.95 135.3 54.85 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.636 0.774 . . . . 0.0 111.748 177.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -154.13 -168.53 2.98 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 120.994 -1.066 . . . . 0.0 113.165 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -141.67 158.34 43.94 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.383 1.073 . . . . 0.0 109.778 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -108.45 138.92 43.94 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 106.293 -1.743 . . . . 0.0 106.293 172.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.457 ' CD1' HG22 ' A' ' 42' ' ' THR . 6.0 mp -132.41 131.34 41.69 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 124.462 1.105 . . . . 0.0 110.41 -175.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.4 t -57.79 124.02 17.72 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.53 1.132 . . . . 0.0 110.888 178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.1 tptm -62.78 -13.82 37.74 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 120.092 -1.63 . . . . 0.0 111.749 178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -94.82 -67.45 0.85 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.358 1.063 . . . . 0.0 111.783 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.6 p -92.6 -6.54 49.27 Favored 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 -177.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.312 70.3 m80 52.54 21.41 1.79 Allowed 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 126.399 1.88 . . . . 0.0 114.973 -176.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.19 146.65 52.24 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 125.186 1.394 . . . . 0.0 107.46 169.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.5 t -75.14 105.38 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 O-C-N 121.593 -0.692 . . . . 0.0 109.847 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.1 mt -60.82 -44.71 98.18 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.481 0 C-N-CA 125.498 1.519 . . . . 0.0 110.794 178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -164.67 163.93 21.51 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.764 1.226 . . . . 0.0 111.997 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -109.91 142.74 40.83 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.132 1.373 . . . . 0.0 108.596 173.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -123.81 137.96 54.58 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.854 1.661 . . . . 0.0 111.527 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -138.07 131.54 30.76 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 124.607 1.163 . . . . 0.0 108.77 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -130.9 126.22 35.58 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 174.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.414 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -128.93 135.78 49.49 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -128.55 126.57 40.62 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.017 0.927 . . . . 0.0 109.685 -179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.74 142.82 51.21 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 126.576 1.95 . . . . 0.0 113.602 -176.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.3 mt -109.6 121.98 63.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 O-C-N 121.136 -0.977 . . . . 0.0 109.68 174.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.49 115.69 24.57 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.792 1.237 . . . . 0.0 114.221 177.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 31.1 t0 51.84 -69.04 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 128.459 2.704 . . . . 0.0 117.184 175.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -135.79 6.79 3.2 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.917 2.087 . . . . 0.0 112.179 178.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.92 170.29 15.09 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 120.796 -1.19 . . . . 0.0 109.909 -175.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -121.69 143.46 49.34 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 124.956 1.302 . . . . 0.0 109.194 175.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -122.17 130.68 53.44 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 126.848 2.059 . . . . 0.0 109.562 -178.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -121.81 129.61 52.77 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 125.043 1.337 . . . . 0.0 109.035 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -140.0 143.02 36.26 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 122.066 0.936 . . . . 0.0 109.044 177.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.7 ttp -137.71 145.53 42.65 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 125.732 1.613 . . . . 0.0 109.299 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.6 tp -151.23 105.79 3.25 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 126.256 1.823 . . . . 0.0 110.098 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.8 t -142.35 136.01 29.21 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 126.261 1.824 . . . . 0.0 109.764 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.9 tp -59.57 -34.18 72.38 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.073 0.949 . . . . 0.0 111.824 176.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.5 tp -94.59 -63.36 1.19 Allowed 'General case' 0 C--O 1.232 0.152 0 C-N-CA 124.882 1.273 . . . . 0.0 111.55 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 80.4 m -65.77 -38.68 89.71 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.626 1.17 . . . . 0.0 113.494 -173.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 130.82 174.16 13.59 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 118.309 2.084 . . . . 0.0 118.309 173.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -113.47 116.81 30.18 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 125.325 1.45 . . . . 0.0 109.894 174.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.74 157.35 44.45 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.742 1.015 . . . . 0.0 113.742 -178.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -150.12 138.97 20.9 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.211 1.005 . . . . 0.0 111.216 176.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -141.69 152.41 43.85 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.145 1.778 . . . . 0.0 111.589 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.6 m -136.59 133.79 36.72 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.701 -0.625 . . . . 0.0 110.711 174.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.0 mt -122.22 126.54 74.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 125.306 1.442 . . . . 0.0 110.755 -177.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.8 p -81.45 136.91 35.68 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.217 -0.927 . . . . 0.0 109.617 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -133.33 179.19 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.863 1.265 . . . . 0.0 112.923 -176.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 74.2 mt -138.46 164.45 40.05 Favored Pre-proline 0 CA--C 1.544 0.72 0 C-N-CA 126.957 2.103 . . . . 0.0 110.582 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -61.05 -15.24 38.01 Favored 'Trans proline' 0 CA--C 1.545 1.052 0 C-N-CA 122.971 2.447 . . . . 0.0 113.791 176.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -73.15 -2.28 20.91 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 125.853 1.661 . . . . 0.0 112.892 174.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.6 t70 56.04 51.99 6.75 Favored Pre-proline 0 CA--C 1.557 1.237 0 C-N-CA 127.411 2.285 . . . . 0.0 115.117 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.75 -30.78 17.18 Favored 'Trans proline' 0 C--N 1.355 0.883 0 C-N-CA 123.373 2.716 . . . . 0.0 115.139 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.6 mtp180 44.25 37.73 2.08 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 126.444 1.897 . . . . 0.0 114.841 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.3 pt20 . . . . . 0 N--CA 1.471 0.622 0 C-N-CA 125.395 1.478 . . . . 0.0 113.482 -178.183 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.891 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.72 -34.01 1.02 Allowed Glycine 0 CA--C 1.532 1.108 0 C-N-CA 127.041 2.258 . . . . 0.0 111.669 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -66.15 -18.38 65.31 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.732 -0.864 . . . . 0.0 110.054 169.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 84.5 m -62.89 -24.73 67.96 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 125.959 1.703 . . . . 0.0 112.947 175.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.1 m -113.31 139.86 36.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 C-N-CA 124.469 1.107 . . . . 0.0 111.827 -174.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -65.45 -38.56 90.19 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.841 -1.162 . . . . 0.0 111.113 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -136.41 143.72 44.1 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.583 1.953 . . . . 0.0 109.373 175.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -81.66 125.42 30.55 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.059 0.943 . . . . 0.0 109.416 175.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 45.6 59.75 14.44 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.853 1.261 . . . . 0.0 113.077 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -62.47 146.08 95.57 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 123.2 2.6 . . . . 0.0 111.361 -179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -76.37 145.64 39.3 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 120.583 -1.323 . . . . 0.0 109.13 175.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 -120.87 29.22 7.49 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.99 37.89 72.89 Favored Glycine 0 CA--C 1.536 1.39 0 O-C-N 121.973 -0.454 . . . . 0.0 112.907 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 79.72 9.4 1.51 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 128.396 2.678 . . . . 0.0 114.731 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.437 HG22 HD13 ' A' ' 18' ' ' LEU . 95.2 m -72.22 118.2 14.81 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.214 -1.554 . . . . 0.0 111.375 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 62.3 m -122.2 109.45 14.5 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.459 1.103 . . . . 0.0 110.552 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.437 HD13 HG22 ' A' ' 16' ' ' THR . 6.8 mp -121.27 149.39 42.95 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.855 1.662 . . . . 0.0 114.093 -174.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.88 1.98 40.49 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 127.472 2.309 . . . . 0.0 112.824 176.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -141.34 157.5 45.11 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.491 1.516 . . . . 0.0 112.801 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.76 -177.57 33.08 Favored Glycine 0 CA--C 1.536 1.358 0 C-N-CA 125.116 1.341 . . . . 0.0 116.004 175.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.7 m -147.84 121.79 9.4 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 128.297 2.639 . . . . 0.0 108.57 179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -75.06 77.07 2.24 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -174.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.5 mt -51.72 -31.16 25.12 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.981 1.475 . . . . 0.0 114.981 -178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 46.8 mt -68.43 -17.85 64.3 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.528 1.131 . . . . 0.0 113.393 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -104.24 -33.01 8.84 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.484 1.114 . . . . 0.0 110.135 174.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -66.53 111.48 3.62 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.64 -0.662 . . . . 0.0 110.67 176.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.2 p -93.64 7.21 45.61 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.699 1.2 . . . . 0.0 112.835 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.41 148.01 23.29 Favored Glycine 0 CA--C 1.534 1.243 0 N-CA-C 110.067 -1.213 . . . . 0.0 110.067 -176.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.468 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.9 t -53.51 166.24 0.31 Allowed 'General case' 0 C--O 1.239 0.515 0 C-N-CA 125.23 1.412 . . . . 0.0 113.979 -178.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.433 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.61 -11.88 6.12 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.498 1.119 . . . . 0.0 112.702 172.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 36.1 t -72.12 -35.11 52.24 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-N 120.056 1.298 . . . . 0.0 109.025 171.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.7 p -130.74 -15.67 3.44 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 116.265 1.95 . . . . 0.0 116.265 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t 80.85 21.17 0.42 Allowed 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -91.84 144.27 25.66 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.201 -1.562 . . . . 0.0 113.394 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.8 ttt-85 -120.27 162.57 19.19 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.585 1.554 . . . . 0.0 109.437 173.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.285 3.4 p30 54.52 20.6 2.91 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 126.168 1.787 . . . . 0.0 114.905 -174.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -119.21 100.78 7.54 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 128.771 2.828 . . . . 0.0 110.462 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.6 ptp -164.69 148.23 8.96 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.22 166.73 19.68 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 131.332 3.853 . . . . 0.0 109.763 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 88.4 mt -127.9 134.9 64.32 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.867 1.667 . . . . 0.0 106.539 173.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.448 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -148.72 177.59 9.38 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.655 0.782 . . . . 0.0 111.22 178.119 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 35.0 t30 58.24 17.78 4.9 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 124.777 1.231 . . . . 0.0 113.621 174.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -58.08 111.83 1.32 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 127.224 2.21 . . . . 0.0 112.626 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.5 m -107.47 155.38 20.12 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 125.625 1.57 . . . . 0.0 111.931 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -139.35 137.74 36.03 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.546 1.538 . . . . 0.0 110.149 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.1 tttm -131.99 146.66 52.22 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.482 1.913 . . . . 0.0 111.049 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.81 116.34 11.31 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.74 0.305 . . . . 0.0 110.796 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -118.84 121.42 39.97 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.964 1.306 . . . . 0.0 113.023 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.5 t70 44.98 20.53 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.304 0 N-CA-C 118.432 2.753 . . . . 0.0 118.432 171.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.52 -21.11 9.3 Favored Glycine 0 N--CA 1.477 1.398 0 C-N-CA 126.381 1.943 . . . . 0.0 113.428 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -74.73 137.71 42.25 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.257 1.423 . . . . 0.0 108.987 174.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -117.99 129.9 55.87 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 125.441 1.496 . . . . 0.0 108.785 176.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.403 HG23 HG22 ' A' ' 74' ' ' THR . 4.4 mp -123.87 139.21 51.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 C-N-CA 123.848 0.859 . . . . 0.0 109.474 -178.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 46.2 t -132.39 118.17 34.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 124.913 1.285 . . . . 0.0 109.036 177.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.4 p -122.02 135.1 54.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.529 0.732 . . . . 0.0 112.041 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -153.19 -168.84 3.14 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.104 -0.997 . . . . 0.0 113.507 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -141.75 158.35 43.91 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.709 1.204 . . . . 0.0 109.353 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -109.91 137.86 47.11 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 105.987 -1.856 . . . . 0.0 105.987 172.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.448 ' CD1' HG22 ' A' ' 42' ' ' THR . 6.1 mp -131.93 132.04 43.2 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 124.767 1.227 . . . . 0.0 110.603 -174.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.7 t -59.31 125.44 23.65 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.382 1.073 . . . . 0.0 111.036 178.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -63.47 -13.07 36.85 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 120.215 -1.553 . . . . 0.0 111.891 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -95.58 -66.36 0.91 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.291 1.036 . . . . 0.0 111.682 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 22.8 p -94.09 -6.24 45.52 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.83 1.419 . . . . 0.0 114.83 -178.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.305 66.2 m80 52.46 20.96 1.6 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.487 1.915 . . . . 0.0 114.974 -176.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.93 146.48 53.56 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.043 1.337 . . . . 0.0 107.502 169.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.8 t -75.41 105.16 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 O-C-N 121.712 -0.618 . . . . 0.0 109.788 177.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.8 mt -60.08 -44.38 94.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 125.802 1.641 . . . . 0.0 110.671 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -164.91 163.17 21.01 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.844 1.258 . . . . 0.0 111.999 -176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -109.96 142.11 41.8 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.105 1.362 . . . . 0.0 108.843 172.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -122.24 138.55 54.45 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 126.02 1.728 . . . . 0.0 111.675 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -139.51 130.36 26.14 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.456 1.103 . . . . 0.0 108.939 175.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -129.44 126.84 39.66 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 173.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.403 HG22 HG23 ' A' ' 54' ' ' ILE . 1.1 p -129.26 135.77 49.21 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -128.7 127.18 41.6 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.093 0.957 . . . . 0.0 110.003 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.32 142.98 50.97 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.428 1.891 . . . . 0.0 113.615 -176.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -110.11 121.95 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 O-C-N 121.068 -1.02 . . . . 0.0 109.855 174.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.45 115.78 24.77 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.754 1.222 . . . . 0.0 113.883 177.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 50.77 -69.58 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 128.471 2.708 . . . . 0.0 117.469 176.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -135.36 6.47 3.29 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 126.895 2.078 . . . . 0.0 111.986 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.29 170.23 15.34 Favored 'General case' 0 CA--C 1.533 0.327 0 O-C-N 121.007 -1.058 . . . . 0.0 109.724 -175.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -122.39 143.49 49.63 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 124.968 1.307 . . . . 0.0 109.365 175.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -121.58 130.42 53.5 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 126.785 2.034 . . . . 0.0 109.612 -178.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -121.87 130.09 53.1 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 125.094 1.358 . . . . 0.0 109.177 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.92 143.27 36.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 122.223 1.011 . . . . 0.0 109.579 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.7 ttp -138.95 144.91 39.22 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 125.766 1.626 . . . . 0.0 109.237 177.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.3 tp -151.76 105.41 3.12 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.102 1.761 . . . . 0.0 110.025 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.7 t -141.6 136.15 30.74 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 126.267 1.827 . . . . 0.0 109.758 178.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.9 tp -59.8 -34.19 72.72 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.017 0.927 . . . . 0.0 111.802 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.1 tp -94.99 -63.99 1.11 Allowed 'General case' 0 C--O 1.231 0.129 0 C-N-CA 125.134 1.373 . . . . 0.0 111.128 178.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.7 m -64.5 -37.63 88.2 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.028 0.931 . . . . 0.0 113.396 -173.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.08 175.22 14.0 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 117.61 1.804 . . . . 0.0 117.61 173.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -111.62 120.92 43.7 Favored 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 125.127 1.371 . . . . 0.0 110.093 174.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.75 157.17 44.58 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.436 1.095 . . . . 0.0 113.92 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -151.83 137.71 18.08 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.963 0.905 . . . . 0.0 110.838 174.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -141.87 152.46 43.63 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 126.143 1.777 . . . . 0.0 111.615 178.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.87 133.47 37.79 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 121.799 -0.563 . . . . 0.0 110.533 174.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.3 mt -122.22 125.83 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.117 1.367 . . . . 0.0 110.739 -177.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.2 p -81.25 136.3 35.8 Favored 'General case' 0 N--CA 1.469 0.497 0 O-C-N 121.437 -0.789 . . . . 0.0 109.703 174.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -133.66 178.13 6.04 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.687 0 C-N-CA 124.806 1.243 . . . . 0.0 112.935 -176.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 65.0 mt -139.65 163.25 46.29 Favored Pre-proline 0 CA--C 1.545 0.753 0 C-N-CA 126.907 2.083 . . . . 0.0 110.257 -177.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -61.25 -17.46 52.91 Favored 'Trans proline' 0 CA--C 1.545 1.03 0 C-N-CA 123.022 2.482 . . . . 0.0 113.571 177.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -74.07 -2.86 26.2 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.718 1.607 . . . . 0.0 112.936 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 32.2 t0 52.64 56.98 15.23 Favored Pre-proline 0 CA--C 1.554 1.105 0 C-N-CA 127.22 2.208 . . . . 0.0 114.909 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.85 -25.57 28.04 Favored 'Trans proline' 0 CA--C 1.544 0.99 0 C-N-CA 123.014 2.476 . . . . 0.0 112.397 177.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 42.18 34.19 0.46 Allowed 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 128.813 2.845 . . . . 0.0 116.36 177.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 . . . . . 0 N--CA 1.473 0.682 0 C-N-CA 126.026 1.73 . . . . 0.0 113.716 -177.807 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.78 -33.94 1.03 Allowed Glycine 0 CA--C 1.533 1.169 0 C-N-CA 126.851 2.167 . . . . 0.0 111.792 -177.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -66.54 -18.02 65.13 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 117.993 0.896 . . . . 0.0 110.088 169.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 71.8 m -61.97 -27.43 68.85 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 125.971 1.708 . . . . 0.0 112.767 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.1 m -110.66 139.27 35.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.584 1.154 . . . . 0.0 111.686 -175.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -64.5 -40.47 95.71 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.686 1.194 . . . . 0.0 110.617 177.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -134.27 141.96 47.15 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.97 2.108 . . . . 0.0 109.335 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -81.73 123.68 28.96 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.592 0.757 . . . . 0.0 109.09 174.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 47.1 60.13 15.5 Favored Pre-proline 0 CA--C 1.547 0.854 0 C-N-CA 124.72 1.208 . . . . 0.0 113.103 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -62.97 145.04 94.19 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 123.115 2.543 . . . . 0.0 111.577 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -77.68 143.91 37.76 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 120.589 -1.319 . . . . 0.0 109.481 175.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -119.04 30.92 6.9 Favored 'General case' 0 N--CA 1.48 1.048 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -175.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.83 37.42 69.54 Favored Glycine 0 CA--C 1.536 1.351 0 C-N-CA 123.474 0.559 . . . . 0.0 113.025 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.34 6.82 0.74 Allowed 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 128.774 2.829 . . . . 0.0 114.743 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.413 HG22 HD13 ' A' ' 18' ' ' LEU . 95.7 m -70.6 117.72 12.5 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.332 -1.48 . . . . 0.0 111.44 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 65.6 m -121.76 109.08 14.27 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.643 1.177 . . . . 0.0 110.247 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.413 HD13 HG22 ' A' ' 16' ' ' THR . 6.0 mp -118.65 146.36 44.74 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 126.108 1.763 . . . . 0.0 113.584 -175.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.27 -4.37 42.38 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.646 1.978 . . . . 0.0 113.032 176.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -144.61 157.41 44.22 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.07 -171.64 19.94 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 125.766 1.65 . . . . 0.0 115.015 176.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.1 m -148.49 120.98 8.5 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 127.7 2.4 . . . . 0.0 108.238 177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -75.26 77.92 2.37 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -174.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.5 mt -51.66 -29.33 17.51 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 -177.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 66.6 mt -70.35 -19.31 63.06 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -102.66 -33.74 9.33 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.491 1.116 . . . . 0.0 109.559 175.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -66.0 109.32 2.51 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.657 0.662 . . . . 0.0 110.084 175.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.4 p -90.44 6.9 41.41 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.317 1.047 . . . . 0.0 112.135 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.05 151.3 27.8 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 125.485 1.516 . . . . 0.0 109.584 -175.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 5.9 t -53.47 169.55 0.13 Allowed 'General case' 0 C--O 1.239 0.519 0 C-N-CA 125.87 1.668 . . . . 0.0 114.213 -177.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.431 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.09 -11.68 5.86 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.751 -1.113 . . . . 0.0 112.375 171.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.3 t -73.6 -35.55 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-N 119.74 1.155 . . . . 0.0 109.136 171.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.0 p -131.41 -16.79 3.03 Favored 'General case' 0 CA--C 1.55 0.957 0 N-CA-C 116.245 1.942 . . . . 0.0 116.245 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t 80.8 15.42 0.65 Allowed 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.9 mmtm -82.26 149.25 27.93 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.034 -1.666 . . . . 0.0 112.908 178.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -124.27 160.65 27.51 Favored 'General case' 0 N--CA 1.484 1.266 0 C-N-CA 125.648 1.579 . . . . 0.0 110.165 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.266 4.0 p30 52.1 27.14 4.3 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 126.298 1.839 . . . . 0.0 114.908 -175.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -122.82 99.56 6.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 128.782 2.833 . . . . 0.0 111.14 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.73 150.03 18.83 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 115.178 1.547 . . . . 0.0 115.178 177.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.48 166.47 17.88 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 131.106 3.762 . . . . 0.0 109.572 178.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.6 mt -127.66 133.37 67.77 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 126.206 1.802 . . . . 0.0 107.031 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.453 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -146.57 172.41 13.62 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.671 0.788 . . . . 0.0 111.705 178.731 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.266 0.0 OUTLIER 56.97 12.0 1.1 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 127.443 2.297 . . . . 0.0 115.213 179.435 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -51.91 112.39 0.77 Allowed 'General case' 0 C--O 1.234 0.261 0 C-N-CA 127.79 2.436 . . . . 0.0 113.706 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.4 m -107.54 156.18 19.28 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 125.392 1.477 . . . . 0.0 112.5 177.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.2 tt -139.66 137.77 35.52 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 125.908 1.683 . . . . 0.0 109.517 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.5 tttt -132.07 146.66 52.2 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 126.384 1.874 . . . . 0.0 111.114 -178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -138.78 116.27 11.27 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.851 0.358 . . . . 0.0 110.792 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -118.9 121.5 40.12 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.163 1.385 . . . . 0.0 113.134 175.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 44.9 20.83 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.273 0 N-CA-C 118.442 2.756 . . . . 0.0 118.442 172.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.05 -20.99 9.63 Favored Glycine 0 N--CA 1.477 1.392 0 C-N-CA 126.329 1.918 . . . . 0.0 113.381 -177.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -74.68 137.53 42.21 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.273 1.429 . . . . 0.0 109.0 174.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -118.06 129.76 55.75 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.714 1.606 . . . . 0.0 108.841 176.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.83 139.37 50.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 C-N-CA 123.869 0.868 . . . . 0.0 109.312 -178.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.3 t -132.51 118.13 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 C-N-CA 124.649 1.18 . . . . 0.0 108.682 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.0 p -122.04 134.25 54.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.742 0.817 . . . . 0.0 111.708 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -154.16 -170.83 3.67 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.177 -0.952 . . . . 0.0 113.265 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.61 158.19 44.15 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.918 1.287 . . . . 0.0 108.718 -178.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -112.23 140.43 46.94 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.157 1.383 . . . . 0.0 108.059 177.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.453 HD11 HG22 ' A' ' 42' ' ' THR . 6.3 mp -132.18 133.81 44.64 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.698 1.199 . . . . 0.0 110.889 -176.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.0 t -59.07 123.3 16.16 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.401 1.08 . . . . 0.0 110.611 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -63.08 -12.6 28.02 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 120.097 -1.627 . . . . 0.0 111.769 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -95.5 -67.98 0.82 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.503 1.121 . . . . 0.0 111.685 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.51 -6.17 50.28 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.02 1.489 . . . . 0.0 115.02 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.29 70.7 m80 53.37 20.73 2.07 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.45 1.9 . . . . 0.0 115.067 -177.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.91 146.62 52.65 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.041 1.336 . . . . 0.0 107.676 169.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.7 t -75.65 105.1 4.31 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 O-C-N 121.617 -0.677 . . . . 0.0 110.038 177.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.9 mt -61.82 -45.82 97.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.485 1.514 . . . . 0.0 111.166 179.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.4 168.55 20.19 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.497 1.119 . . . . 0.0 112.636 -175.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -116.62 140.4 49.44 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.038 1.735 . . . . 0.0 109.157 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.72 139.32 54.11 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 126.077 1.751 . . . . 0.0 112.757 -177.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -140.09 131.81 27.37 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.637 1.175 . . . . 0.0 108.836 174.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -131.24 126.5 35.64 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 106.606 -1.627 . . . . 0.0 106.606 173.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.74 135.84 49.75 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -129.41 126.53 39.01 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.992 0.917 . . . . 0.0 110.076 -178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.6 142.89 51.24 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 126.494 1.917 . . . . 0.0 113.522 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.11 121.93 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 120.982 -1.074 . . . . 0.0 109.674 174.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.9 ptp -119.34 115.77 24.82 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.679 1.192 . . . . 0.0 113.596 177.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 50.25 -72.79 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.213 2.605 . . . . 0.0 116.891 177.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -132.36 7.69 4.24 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.061 2.144 . . . . 0.0 112.173 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -133.26 170.44 15.44 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 120.591 -1.318 . . . . 0.0 109.684 -176.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -122.08 143.54 49.46 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 125.358 1.463 . . . . 0.0 109.247 176.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -121.98 130.17 53.08 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 126.781 2.033 . . . . 0.0 109.636 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -122.08 130.18 53.04 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 125.002 1.321 . . . . 0.0 109.299 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.89 142.69 36.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 122.1 0.952 . . . . 0.0 109.385 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.4 ttp -139.09 145.27 39.3 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 125.792 1.637 . . . . 0.0 109.321 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.76 105.42 3.12 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.23 1.812 . . . . 0.0 110.311 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.6 t -142.47 136.93 29.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.16 1.784 . . . . 0.0 110.137 178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.1 tp -59.03 -34.12 71.54 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.275 1.03 . . . . 0.0 111.805 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.7 tp -96.64 -63.23 1.16 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 125.159 1.383 . . . . 0.0 111.25 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 69.8 m -64.45 -37.32 87.12 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.419 0.896 . . . . 0.0 113.419 -173.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 127.93 174.94 13.9 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 117.695 1.838 . . . . 0.0 117.695 172.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.43 117.74 32.57 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.148 1.379 . . . . 0.0 110.35 174.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.67 157.21 44.57 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -150.38 137.76 19.63 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 124.325 1.05 . . . . 0.0 110.906 175.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -141.76 152.48 43.81 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.418 1.887 . . . . 0.0 111.911 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -136.5 133.39 36.46 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 121.486 -0.758 . . . . 0.0 110.577 174.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.2 mt -122.22 126.8 74.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 125.297 1.439 . . . . 0.0 110.769 -177.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.1 p -82.16 136.68 35.1 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.322 -0.861 . . . . 0.0 109.691 174.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -134.2 177.12 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 C-N-CA 124.721 1.209 . . . . 0.0 112.675 -177.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 60.6 mt -141.54 162.96 44.22 Favored Pre-proline 0 CA--C 1.545 0.774 0 C-N-CA 126.773 2.029 . . . . 0.0 110.244 -177.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -61.64 -16.49 48.61 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 123.048 2.499 . . . . 0.0 113.467 176.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -74.35 -1.53 21.29 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 125.931 1.693 . . . . 0.0 113.02 174.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 26.1 t0 54.09 60.18 11.25 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 127.365 2.266 . . . . 0.0 114.938 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -70.84 -23.77 25.49 Favored 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 123.388 2.725 . . . . 0.0 113.81 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . 0.263 0.0 OUTLIER 43.31 26.35 0.09 Allowed 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 128.461 2.705 . . . . 0.0 117.527 178.577 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 . . . . . 0 N--CA 1.473 0.701 0 C-N-CA 125.191 1.396 . . . . 0.0 113.621 -177.731 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.98 -35.17 1.05 Allowed Glycine 0 CA--C 1.531 1.072 0 C-N-CA 126.896 2.189 . . . . 0.0 111.401 -176.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -66.24 -17.53 64.8 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 121.828 -0.807 . . . . 0.0 109.936 169.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.467 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 78.6 m -62.6 -26.95 68.87 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 125.962 1.705 . . . . 0.0 112.69 174.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.8 m -110.96 140.51 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 O-C-N 121.177 -0.952 . . . . 0.0 112.217 -174.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -65.31 -41.55 93.95 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.798 1.239 . . . . 0.0 110.368 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -132.79 140.97 48.25 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 126.953 2.101 . . . . 0.0 109.248 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -81.7 123.52 28.8 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.65 0.78 . . . . 0.0 109.043 175.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 46.88 60.24 15.2 Favored Pre-proline 0 CA--C 1.547 0.838 0 C-N-CA 124.808 1.243 . . . . 0.0 113.139 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -62.77 146.69 95.16 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 123.249 2.633 . . . . 0.0 111.389 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -77.91 145.7 36.01 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.242 -1.537 . . . . 0.0 109.394 175.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.0 mmm-85 -119.21 28.46 8.22 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 114.831 1.419 . . . . 0.0 114.831 -174.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 59.04 44.15 96.47 Favored Glycine 0 CA--C 1.534 1.257 0 O-C-N 121.934 -0.479 . . . . 0.0 112.051 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.2 m120 67.88 23.68 8.31 Favored 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 126.59 1.956 . . . . 0.0 114.452 -179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.432 HG22 HD13 ' A' ' 18' ' ' LEU . 91.6 m -88.5 120.21 29.67 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 120.552 -1.343 . . . . 0.0 110.943 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.3 m -121.89 110.04 15.38 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.472 1.109 . . . . 0.0 110.589 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.432 HD13 HG22 ' A' ' 16' ' ' THR . 6.0 mp -119.19 145.5 45.97 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 126.343 1.857 . . . . 0.0 113.577 -175.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.05 -4.44 49.46 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.511 1.924 . . . . 0.0 113.255 176.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -148.24 153.28 38.51 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.231 1.013 . . . . 0.0 112.823 -178.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.83 -175.8 15.97 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.661 1.6 . . . . 0.0 114.42 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.1 m -151.14 118.82 6.11 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 127.58 2.352 . . . . 0.0 108.307 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -75.73 77.13 2.69 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.585 1.698 . . . . 0.0 115.585 -174.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.0 mt -52.73 -25.41 11.02 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 -178.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.4 mt -75.12 -17.39 60.43 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.623 1.169 . . . . 0.0 113.063 176.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -104.47 -32.59 8.93 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 125.041 1.337 . . . . 0.0 110.013 175.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -65.73 105.1 1.18 Allowed 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.84 0.745 . . . . 0.0 111.394 177.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 25.7 p -81.06 -4.83 56.56 Favored 'General case' 0 N--CA 1.481 1.087 0 O-C-N 121.072 -1.018 . . . . 0.0 112.851 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.03 148.94 20.84 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 125.914 1.721 . . . . 0.0 109.223 -175.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.467 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 8.3 t -53.28 165.55 0.34 Allowed 'General case' 0 C--O 1.239 0.539 0 C-N-CA 125.255 1.422 . . . . 0.0 114.099 -177.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -124.89 -11.24 7.17 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.337 1.055 . . . . 0.0 112.324 172.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.0 t -73.56 -34.94 43.49 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 119.742 1.155 . . . . 0.0 109.001 171.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.1 p -132.09 -14.94 3.0 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.39 23.38 0.29 Allowed 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 178.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -95.31 138.74 32.59 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 119.709 -1.869 . . . . 0.0 113.92 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -113.16 161.59 16.96 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.083 1.753 . . . . 0.0 109.592 174.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.264 4.1 p30 51.76 26.48 3.52 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.48 1.912 . . . . 0.0 115.038 -176.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -123.05 98.82 6.07 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 128.72 2.808 . . . . 0.0 111.093 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -161.14 149.81 16.17 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 176.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.37 165.93 18.82 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 131.101 3.76 . . . . 0.0 109.044 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.1 mt -127.52 134.38 65.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 175.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -149.13 177.43 9.62 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.689 0.796 . . . . 0.0 111.231 178.219 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 36.4 t30 57.91 18.18 4.83 Favored 'General case' 0 CA--C 1.555 1.165 0 C-N-CA 124.836 1.255 . . . . 0.0 113.713 174.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 tttp -57.71 113.9 2.04 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 127.115 2.166 . . . . 0.0 112.508 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 65.9 m -107.54 156.09 19.39 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 125.802 1.641 . . . . 0.0 111.663 176.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.3 tt -139.97 137.73 34.96 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.517 1.527 . . . . 0.0 109.852 178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -132.07 146.64 52.19 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.288 1.835 . . . . 0.0 111.41 -178.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -139.3 116.42 11.06 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 117.912 0.324 . . . . 0.0 111.77 177.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.91 121.43 39.95 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 125.155 1.382 . . . . 0.0 113.364 173.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.7 t70 45.18 20.78 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 118.439 2.755 . . . . 0.0 118.439 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.41 -20.93 9.43 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 126.133 1.825 . . . . 0.0 113.181 -177.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -74.08 137.21 43.17 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.919 1.287 . . . . 0.0 108.876 174.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -118.04 129.86 55.82 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 125.427 1.491 . . . . 0.0 108.683 176.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -123.13 138.53 52.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 123.979 0.911 . . . . 0.0 109.499 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.3 t -132.45 118.1 34.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 C-N-CA 124.716 1.207 . . . . 0.0 108.964 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 46.9 p -121.99 135.26 54.83 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.656 0.782 . . . . 0.0 111.641 177.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -153.31 -168.81 3.12 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.991 -1.068 . . . . 0.0 113.037 179.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -141.74 158.29 43.99 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.534 1.134 . . . . 0.0 110.073 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -108.21 139.21 43.22 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 172.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.46 ' CD1' HG22 ' A' ' 42' ' ' THR . 5.8 mp -132.82 131.63 41.26 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 124.689 1.196 . . . . 0.0 110.28 -175.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -58.09 123.69 16.79 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.122 . . . . 0.0 111.245 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -62.6 -13.81 35.72 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 120.158 -1.589 . . . . 0.0 111.72 177.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -95.22 -66.48 0.91 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.403 1.081 . . . . 0.0 111.859 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.1 p -94.66 -5.58 45.28 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 -178.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.312 69.5 m80 52.69 21.17 1.78 Allowed 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 126.271 1.828 . . . . 0.0 115.067 -177.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.58 147.1 52.43 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 169.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.3 t -74.94 103.77 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.589 -0.695 . . . . 0.0 109.727 177.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 47.4 mt -60.68 -45.62 97.23 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.542 1.537 . . . . 0.0 110.997 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.49 164.46 24.39 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.758 1.223 . . . . 0.0 111.787 -176.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.3 142.15 45.15 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.312 1.445 . . . . 0.0 108.521 174.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -123.46 138.52 54.57 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.833 1.653 . . . . 0.0 111.677 -177.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -138.86 131.51 28.99 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 124.496 1.118 . . . . 0.0 108.851 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -130.36 126.57 37.45 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 173.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.16 135.79 49.32 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -129.15 126.3 38.96 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.057 0.943 . . . . 0.0 110.002 -178.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.38 142.89 51.31 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.626 1.971 . . . . 0.0 113.691 -176.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.24 121.92 63.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 O-C-N 121.117 -0.99 . . . . 0.0 109.822 174.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.43 115.74 24.71 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.652 1.181 . . . . 0.0 113.432 177.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 50.51 -74.18 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 128.169 2.587 . . . . 0.0 116.654 177.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -131.76 8.11 4.48 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.881 2.072 . . . . 0.0 112.199 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.9 170.34 15.02 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 120.61 -1.306 . . . . 0.0 109.524 -176.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -123.17 143.6 49.9 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.09 1.356 . . . . 0.0 109.161 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -121.98 129.93 52.89 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 126.722 2.009 . . . . 0.0 109.759 -179.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -121.54 130.03 53.27 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 125.019 1.328 . . . . 0.0 109.205 178.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.97 143.02 36.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.311 1.053 . . . . 0.0 109.391 177.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 56.1 ttp -138.82 144.55 39.36 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 125.769 1.628 . . . . 0.0 109.151 177.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.28 105.91 3.25 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.217 1.807 . . . . 0.0 110.119 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 37.7 t -141.87 136.36 30.45 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 126.284 1.834 . . . . 0.0 109.687 178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.2 tp -59.92 -33.99 72.62 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.135 0.974 . . . . 0.0 111.855 176.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.4 tp -95.5 -63.41 1.16 Allowed 'General case' 0 C--O 1.231 0.129 0 C-N-CA 124.858 1.263 . . . . 0.0 111.226 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.1 m -64.67 -38.3 90.52 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -173.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.09 175.09 13.92 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 117.869 1.908 . . . . 0.0 117.869 173.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -113.82 117.82 32.53 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.316 1.447 . . . . 0.0 110.432 175.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.71 157.17 44.59 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.517 1.127 . . . . 0.0 113.668 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -150.26 137.71 19.73 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.392 1.077 . . . . 0.0 110.982 176.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -141.85 152.46 43.66 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.331 1.853 . . . . 0.0 111.67 179.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -135.68 135.73 40.32 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.323 -0.861 . . . . 0.0 110.714 175.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 9.8 mt -122.16 124.89 72.12 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.195 1.398 . . . . 0.0 110.497 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.1 p -83.75 130.88 34.95 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -132.94 174.54 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 CA-C-O 122.433 1.111 . . . . 0.0 113.745 -175.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -129.5 161.08 61.07 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 127.56 2.344 . . . . 0.0 108.488 179.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -61.0 -18.79 59.81 Favored 'Trans proline' 0 CA--C 1.543 0.951 0 C-N-CA 122.813 2.342 . . . . 0.0 113.674 178.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.8 -5.35 47.87 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.612 1.565 . . . . 0.0 113.247 175.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 31.4 t0 52.87 78.58 0.39 Allowed Pre-proline 0 CA--C 1.556 1.176 0 C-N-CA 127.762 2.425 . . . . 0.0 114.053 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -72.99 -11.78 25.63 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 124.266 3.31 . . . . 0.0 117.154 -174.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? 43.54 64.34 1.27 Allowed 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 125.686 1.594 . . . . 0.0 113.343 -177.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 . . . . . 0 N--CA 1.476 0.842 0 C-N-CA 125.333 1.453 . . . . 0.0 113.753 -178.391 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.434 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.885 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.84 -33.79 1.04 Allowed Glycine 0 CA--C 1.531 1.078 0 C-N-CA 126.864 2.173 . . . . 0.0 111.878 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -65.51 -19.41 65.91 Favored 'General case' 0 CA--C 1.548 0.877 0 CA-C-N 117.905 0.853 . . . . 0.0 109.928 169.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 73.1 m -61.68 -25.94 67.72 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.161 1.784 . . . . 0.0 113.25 175.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.1 m -111.97 139.06 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 C-N-CA 124.639 1.176 . . . . 0.0 111.636 -174.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.85 -38.56 91.4 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.894 -1.129 . . . . 0.0 111.135 177.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -136.85 144.14 43.45 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.628 1.971 . . . . 0.0 109.435 175.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -81.8 124.97 30.11 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.032 0.933 . . . . 0.0 109.395 175.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 45.67 59.4 14.92 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 124.937 1.295 . . . . 0.0 113.477 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -62.89 144.54 93.53 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.418 2.745 . . . . 0.0 111.668 -178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -76.26 143.06 41.18 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 120.916 -1.115 . . . . 0.0 109.15 175.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -119.32 30.9 6.87 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -175.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.62 37.06 66.43 Favored Glycine 0 CA--C 1.535 1.295 0 C-N-CA 123.431 0.538 . . . . 0.0 113.152 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 83.4 7.13 0.71 Allowed 'General case' 0 CA--C 1.555 1.161 0 C-N-CA 128.8 2.84 . . . . 0.0 114.749 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.408 HG22 HD13 ' A' ' 18' ' ' LEU . 95.9 m -70.43 116.16 10.45 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 120.22 -1.55 . . . . 0.0 111.495 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 63.2 m -120.81 109.92 15.73 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.579 1.151 . . . . 0.0 110.257 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.408 HD13 HG22 ' A' ' 16' ' ' THR . 6.1 mp -119.43 145.33 46.35 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.0 1.72 . . . . 0.0 113.491 -175.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.11 -6.29 42.27 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.295 1.838 . . . . 0.0 112.975 175.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -142.55 156.77 45.15 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.437 1.095 . . . . 0.0 113.649 -177.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 107.35 -166.54 13.34 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 125.513 1.53 . . . . 0.0 115.748 175.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 m -152.06 131.63 13.06 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 127.564 2.346 . . . . 0.0 108.118 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -87.76 75.87 8.88 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.59 -25.14 16.13 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -177.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.7 mt -72.39 -18.12 61.75 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.1 0.864 . . . . 0.0 112.984 175.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -103.27 -33.51 9.13 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.66 1.184 . . . . 0.0 110.056 174.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -66.05 111.03 3.17 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.483 0.583 . . . . 0.0 110.0 175.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 35.2 p -90.48 4.38 51.23 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.225 1.01 . . . . 0.0 112.191 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.46 150.87 27.64 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.477 1.513 . . . . 0.0 109.429 -174.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 t -53.43 169.69 0.12 Allowed 'General case' 0 C--O 1.239 0.522 0 C-N-CA 125.542 1.537 . . . . 0.0 114.249 -177.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.434 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -127.17 -11.75 5.81 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 114.791 -1.095 . . . . 0.0 112.411 171.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.8 t -73.67 -35.62 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 CA-C-N 119.758 1.163 . . . . 0.0 109.081 171.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.2 p -131.08 -17.25 3.09 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 81.57 14.9 0.55 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 116.375 1.991 . . . . 0.0 116.375 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -81.74 148.54 28.89 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 120.019 -1.676 . . . . 0.0 113.16 179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -124.03 162.11 24.13 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 125.734 1.614 . . . . 0.0 109.806 175.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.284 4.0 p30 52.69 26.51 4.49 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.157 1.783 . . . . 0.0 114.964 -175.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -124.19 100.33 6.66 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 128.825 2.85 . . . . 0.0 111.613 -177.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.68 150.22 17.32 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.309 1.596 . . . . 0.0 115.309 176.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.31 167.56 16.76 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 131.333 3.853 . . . . 0.0 110.086 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.8 mt -127.85 134.09 66.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 126.503 1.921 . . . . 0.0 107.081 175.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.448 HG22 HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.64 173.41 12.77 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.663 0.785 . . . . 0.0 111.822 178.295 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.266 0.0 OUTLIER 56.87 12.22 1.12 Allowed 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 127.58 2.352 . . . . 0.0 115.223 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 32.0 tttt -51.51 112.59 0.78 Allowed 'General case' 0 C--O 1.234 0.258 0 C-N-CA 127.729 2.412 . . . . 0.0 114.088 -177.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.3 m -107.58 156.18 19.31 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 125.584 1.553 . . . . 0.0 112.642 177.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 tt -139.5 137.77 35.79 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.833 1.653 . . . . 0.0 109.43 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.6 tttm -132.04 146.73 52.25 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 126.509 1.924 . . . . 0.0 111.184 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -138.86 116.25 11.2 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 120.77 0.319 . . . . 0.0 111.04 176.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -118.79 121.41 39.98 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.069 1.347 . . . . 0.0 113.093 175.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.8 t70 45.03 20.31 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.274 0 N-CA-C 118.496 2.776 . . . . 0.0 118.496 171.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.45 -21.16 9.32 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 126.469 1.985 . . . . 0.0 113.357 -176.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -74.53 137.28 42.34 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.313 1.445 . . . . 0.0 108.999 174.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -118.03 129.83 55.81 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 125.631 1.572 . . . . 0.0 108.791 176.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.49 139.68 49.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 123.963 0.905 . . . . 0.0 109.306 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.5 t -132.51 118.04 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 124.527 1.131 . . . . 0.0 108.521 177.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.3 p -122.06 134.25 54.78 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.891 0.876 . . . . 0.0 111.901 177.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -154.79 -170.59 3.56 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.128 -0.983 . . . . 0.0 113.164 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.7 158.21 44.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.899 1.279 . . . . 0.0 108.816 -178.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -111.88 140.99 46.08 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 125.165 1.386 . . . . 0.0 107.909 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.448 HD11 HG22 ' A' ' 42' ' ' THR . 6.3 mp -132.63 134.23 44.62 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.518 1.127 . . . . 0.0 110.958 -175.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 9.1 t -59.5 122.69 14.64 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.449 1.1 . . . . 0.0 110.428 177.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -62.32 -13.51 29.53 Favored 'General case' 0 N--CA 1.479 0.999 0 O-C-N 120.158 -1.589 . . . . 0.0 111.786 178.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -94.71 -68.2 0.81 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.503 1.121 . . . . 0.0 111.661 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 24.5 p -92.1 -6.27 51.19 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 -177.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 73.0 m80 53.22 21.59 2.3 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.272 1.829 . . . . 0.0 115.04 -177.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.75 146.74 51.25 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.274 1.43 . . . . 0.0 107.488 169.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.5 t -75.61 105.73 4.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 O-C-N 121.521 -0.737 . . . . 0.0 109.927 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.2 mt -62.12 -45.31 99.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 125.341 1.456 . . . . 0.0 111.095 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.53 167.33 21.55 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.562 1.145 . . . . 0.0 112.54 -175.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -114.76 140.75 48.64 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.756 1.623 . . . . 0.0 108.964 174.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -123.47 138.64 54.54 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 126.077 1.751 . . . . 0.0 112.354 -177.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -139.76 132.03 28.26 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 124.506 1.122 . . . . 0.0 108.648 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -131.32 126.43 35.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.576 -1.638 . . . . 0.0 106.576 174.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.33 135.81 50.1 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -128.86 126.76 40.47 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.112 0.965 . . . . 0.0 110.014 -178.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.99 142.89 51.11 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.464 1.906 . . . . 0.0 113.617 -176.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.6 mt -109.8 121.92 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 O-C-N 120.919 -1.113 . . . . 0.0 109.925 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.4 115.81 24.87 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.881 1.272 . . . . 0.0 114.213 177.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.0 t0 51.28 -68.7 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 128.605 2.762 . . . . 0.0 117.476 175.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -135.46 6.1 3.24 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.89 2.076 . . . . 0.0 112.055 178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.09 171.29 13.81 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 120.697 -1.252 . . . . 0.0 109.837 -175.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -123.21 143.43 50.03 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 125.029 1.332 . . . . 0.0 109.29 176.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -121.18 130.45 53.71 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 126.899 2.08 . . . . 0.0 109.465 -178.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -122.04 130.33 53.19 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 125.091 1.357 . . . . 0.0 109.189 178.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.9 142.27 36.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 122.039 0.924 . . . . 0.0 109.458 177.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.0 ttp -138.33 144.94 40.6 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 125.833 1.653 . . . . 0.0 109.461 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.5 tp -151.91 105.1 3.06 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.056 1.742 . . . . 0.0 110.256 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.4 t -142.08 136.73 30.44 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.367 1.867 . . . . 0.0 110.077 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.9 tp -59.41 -34.13 72.08 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.123 0.969 . . . . 0.0 111.925 176.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.3 tp -96.31 -63.32 1.16 Allowed 'General case' 0 C--O 1.232 0.182 0 C-N-CA 125.027 1.331 . . . . 0.0 111.279 179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 80.5 m -63.9 -38.26 90.42 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.894 0.878 . . . . 0.0 113.286 -173.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.16 175.63 14.15 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 117.338 1.695 . . . . 0.0 117.338 173.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -112.56 118.28 34.67 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.747 1.619 . . . . 0.0 110.355 175.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.77 157.24 44.52 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -178.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -150.55 137.75 19.41 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.165 0.986 . . . . 0.0 110.826 174.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -141.86 152.47 43.66 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.156 1.782 . . . . 0.0 111.718 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.03 133.25 37.25 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 121.819 -0.551 . . . . 0.0 110.59 175.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.7 mt -122.25 128.06 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.306 1.442 . . . . 0.0 111.118 -176.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.1 p -86.05 132.18 34.11 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 121.254 -0.904 . . . . 0.0 110.664 175.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.47 173.63 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 124.855 1.262 . . . . 0.0 113.227 -176.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 63.8 mt -142.92 157.49 61.03 Favored Pre-proline 0 CA--C 1.545 0.776 0 C-N-CA 126.138 1.775 . . . . 0.0 110.568 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -65.47 -15.52 50.04 Favored 'Trans proline' 0 CA--C 1.544 0.977 0 C-N-CA 123.095 2.53 . . . . 0.0 113.124 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -75.7 2.36 12.23 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.341 1.857 . . . . 0.0 113.476 176.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 28.9 t0 55.18 66.85 3.55 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 126.471 1.908 . . . . 0.0 113.591 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -74.01 -12.2 23.66 Favored 'Trans proline' 0 CA--C 1.541 0.857 0 C-N-CA 123.817 3.011 . . . . 0.0 115.079 -177.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 50.0 42.57 24.81 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 126.315 1.846 . . . . 0.0 113.204 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 . . . . . 0 CA--C 1.539 0.549 0 C-N-CA 128.185 2.594 . . . . 0.0 113.412 -179.21 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.461 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.844 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.09 -35.33 1.08 Allowed Glycine 0 CA--C 1.532 1.116 0 C-N-CA 126.793 2.14 . . . . 0.0 111.339 -176.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -66.1 -18.58 65.44 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 117.91 0.855 . . . . 0.0 109.961 169.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 67.2 m -61.24 -27.7 68.64 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 126.229 1.811 . . . . 0.0 112.736 174.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.2 m -110.34 140.03 31.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 124.202 1.001 . . . . 0.0 111.751 -174.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -64.71 -40.63 95.68 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.889 1.276 . . . . 0.0 110.415 177.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -134.72 141.51 46.52 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 127.107 2.163 . . . . 0.0 109.317 177.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -81.4 124.01 29.05 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.624 0.77 . . . . 0.0 109.117 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 46.77 60.34 14.96 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 124.746 1.218 . . . . 0.0 113.087 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -63.01 144.01 92.07 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.114 2.543 . . . . 0.0 111.291 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -77.0 143.74 39.18 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 120.491 -1.381 . . . . 0.0 109.458 175.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -116.12 30.86 7.08 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 57.97 12.03 10.11 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 126.125 1.822 . . . . 0.0 116.704 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 120.98 -0.31 0.0 OUTLIER 'General case' 0 CA--C 1.554 1.121 1 C-N-CA 132.756 4.422 . . . . 0.0 115.689 178.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.419 HG22 HD13 ' A' ' 18' ' ' LEU . 91.0 m -68.48 117.01 9.69 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 120.852 -1.155 . . . . 0.0 112.623 -176.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 84.2 m -122.81 110.19 15.14 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.989 1.316 . . . . 0.0 110.379 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.419 HD13 HG22 ' A' ' 16' ' ' THR . 6.6 mp -121.75 149.23 43.58 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.945 1.698 . . . . 0.0 113.89 -175.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.23 1.96 39.44 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.261 2.224 . . . . 0.0 112.823 175.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -141.48 158.62 43.62 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.246 1.419 . . . . 0.0 113.152 -177.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.94 -175.1 33.48 Favored Glycine 0 CA--C 1.536 1.354 0 C-N-CA 125.184 1.373 . . . . 0.0 116.051 175.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.6 m -146.2 123.24 11.41 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 127.98 2.512 . . . . 0.0 108.277 178.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -76.15 78.32 2.97 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 116.193 1.923 . . . . 0.0 116.193 -174.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 mt -53.3 -24.92 12.93 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -178.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.0 mt -74.31 -17.18 60.88 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.795 0.838 . . . . 0.0 112.943 176.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -105.56 -32.6 8.42 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.048 1.339 . . . . 0.0 110.083 176.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -65.64 104.93 1.11 Allowed 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.958 0.799 . . . . 0.0 110.895 176.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.9 p -81.26 -5.95 58.34 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 121.392 -0.818 . . . . 0.0 112.394 178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 103.29 150.08 21.63 Favored Glycine 0 CA--C 1.53 1.004 0 C-N-CA 126.408 1.956 . . . . 0.0 109.428 -176.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.46 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.7 t -52.42 163.74 0.39 Allowed 'General case' 0 C--O 1.238 0.499 0 C-N-CA 125.01 1.324 . . . . 0.0 114.215 -176.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.461 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -121.62 -10.87 8.73 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.234 1.014 . . . . 0.0 111.941 172.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.5 t -75.12 -35.08 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 119.546 1.066 . . . . 0.0 109.078 172.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.8 p -132.71 -13.03 2.94 Favored 'General case' 0 CA--C 1.552 1.027 0 N-CA-C 116.865 2.172 . . . . 0.0 116.865 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 80.48 18.87 0.56 Allowed 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 116.518 2.044 . . . . 0.0 116.518 178.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -92.86 139.5 30.47 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 119.617 -1.927 . . . . 0.0 113.938 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 ttp85 -113.01 161.77 16.65 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 125.709 1.604 . . . . 0.0 110.087 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.261 4.1 p30 51.53 27.53 3.93 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 126.46 1.904 . . . . 0.0 115.296 -176.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -122.51 99.26 6.32 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 128.471 2.708 . . . . 0.0 110.898 -178.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.62 150.86 19.75 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 177.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.96 165.94 19.29 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 131.399 3.879 . . . . 0.0 109.043 178.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.9 mt -128.48 134.98 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 125.942 1.697 . . . . 0.0 106.89 176.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.44 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.38 172.18 14.31 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.312 0.645 . . . . 0.0 111.771 178.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.279 0.0 OUTLIER 58.34 14.46 2.9 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.447 2.299 . . . . 0.0 115.275 178.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -51.59 112.41 0.75 Allowed 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 126.847 2.059 . . . . 0.0 113.241 -178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.2 m -107.53 156.09 19.38 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 125.463 1.505 . . . . 0.0 112.097 178.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.5 tt -140.32 137.84 34.45 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.626 1.571 . . . . 0.0 110.069 178.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -131.67 146.68 52.31 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 126.485 1.914 . . . . 0.0 111.161 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -138.64 116.35 11.45 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.814 0.34 . . . . 0.0 110.867 175.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -118.96 121.45 39.97 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.351 1.46 . . . . 0.0 113.319 174.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t70 45.56 20.82 0.06 Allowed 'General case' 0 CA--C 1.558 1.26 0 N-CA-C 118.38 2.733 . . . . 0.0 118.38 172.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.75 -21.11 9.82 Favored Glycine 0 N--CA 1.478 1.455 0 C-N-CA 126.272 1.891 . . . . 0.0 113.23 -177.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -75.12 136.6 41.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.011 1.324 . . . . 0.0 108.858 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -117.95 129.86 55.86 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 125.658 1.583 . . . . 0.0 108.683 176.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.4 mp -123.62 139.49 50.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 123.885 0.874 . . . . 0.0 109.33 -177.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.1 t -132.53 118.15 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 C-N-CA 124.763 1.225 . . . . 0.0 108.895 177.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 45.0 p -121.95 134.76 54.83 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.61 0.764 . . . . 0.0 112.063 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -153.41 -170.58 3.64 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.65 158.17 44.16 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.256 1.423 . . . . 0.0 108.68 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -112.72 141.53 46.4 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.141 1.377 . . . . 0.0 108.156 176.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.44 ' CD1' HG22 ' A' ' 42' ' ' THR . 6.2 mp -132.7 134.67 45.1 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 124.696 1.198 . . . . 0.0 110.959 -176.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 11.3 t -59.66 122.26 13.67 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.608 1.163 . . . . 0.0 110.811 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -62.28 -13.22 26.16 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 120.014 -1.679 . . . . 0.0 111.667 177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -95.87 -63.27 1.17 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.635 1.174 . . . . 0.0 112.477 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.1 p -99.04 -4.53 32.25 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 114.771 1.396 . . . . 0.0 114.771 -178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 70.9 m80 53.5 20.34 2.03 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 126.498 1.919 . . . . 0.0 115.237 -177.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.06 147.1 52.83 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 169.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 82.9 t -76.01 104.72 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 O-C-N 121.462 -0.774 . . . . 0.0 109.947 177.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 57.7 mt -61.75 -46.36 96.7 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 125.737 1.615 . . . . 0.0 111.417 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -162.68 168.7 21.22 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.472 1.109 . . . . 0.0 112.631 -175.161 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -117.16 140.15 49.88 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.97 1.708 . . . . 0.0 109.145 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -123.25 139.11 54.39 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.098 1.759 . . . . 0.0 112.611 -176.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -140.15 130.84 25.75 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 124.523 1.129 . . . . 0.0 108.873 174.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -129.86 127.0 39.32 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 173.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.78 135.81 49.67 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -128.64 127.8 42.9 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.197 0.999 . . . . 0.0 110.005 -178.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -128.8 142.91 50.83 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.462 1.905 . . . . 0.0 113.577 -176.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -109.92 121.88 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 O-C-N 120.946 -1.096 . . . . 0.0 109.609 174.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.1 ptp -119.48 115.87 24.93 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.64 1.176 . . . . 0.0 114.097 177.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.3 t0 51.68 -68.52 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 128.562 2.745 . . . . 0.0 117.388 175.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -135.87 5.81 3.12 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 126.851 2.06 . . . . 0.0 112.156 178.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.28 171.05 13.78 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 120.786 -1.196 . . . . 0.0 109.885 -175.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -122.51 143.47 49.69 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 125.133 1.373 . . . . 0.0 109.009 176.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -122.03 130.05 52.95 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 126.902 2.081 . . . . 0.0 109.63 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -122.3 129.31 52.05 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 124.939 1.296 . . . . 0.0 109.455 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.84 142.22 36.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 122.218 1.009 . . . . 0.0 109.594 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 57.2 ttp -137.88 145.76 42.55 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.778 1.631 . . . . 0.0 109.401 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tp -151.8 104.86 3.06 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.388 1.875 . . . . 0.0 110.163 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.8 t -142.19 136.83 30.33 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.293 1.837 . . . . 0.0 110.01 178.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 40.4 tp -59.1 -34.13 71.65 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.198 0.999 . . . . 0.0 111.824 176.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.2 tp -96.46 -62.77 1.22 Allowed 'General case' 0 C--O 1.232 0.134 0 C-N-CA 125.038 1.335 . . . . 0.0 111.256 178.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.8 m -64.83 -37.69 88.48 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 113.437 0.902 . . . . 0.0 113.437 -173.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.64 174.67 13.8 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 117.642 1.817 . . . . 0.0 117.642 172.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -113.18 116.59 30.04 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.079 1.351 . . . . 0.0 109.909 174.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.72 157.32 44.48 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -149.44 138.78 21.48 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.26 1.024 . . . . 0.0 111.174 176.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -141.77 152.42 43.75 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.174 1.79 . . . . 0.0 111.733 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -136.24 134.2 37.84 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.889 -0.507 . . . . 0.0 110.574 174.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 6.8 mt -122.16 126.22 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.159 1.384 . . . . 0.0 110.618 -177.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 21.4 p -83.68 133.03 34.83 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.386 -0.821 . . . . 0.0 109.68 174.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 pp -133.83 178.82 5.01 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 C-N-CA 124.619 1.168 . . . . 0.0 113.616 -175.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 69.9 mt -139.61 162.19 52.55 Favored Pre-proline 0 CA--C 1.544 0.736 0 C-N-CA 127.355 2.262 . . . . 0.0 109.811 -178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -61.05 -18.3 57.06 Favored 'Trans proline' 0 CA--C 1.543 0.966 0 C-N-CA 123.096 2.531 . . . . 0.0 113.879 178.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -76.25 -0.35 22.01 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.717 1.607 . . . . 0.0 113.149 175.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 34.5 t70 51.05 60.3 14.84 Favored Pre-proline 0 CA--C 1.552 1.028 0 C-N-CA 127.343 2.257 . . . . 0.0 114.86 -178.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.47 -25.34 35.48 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 123.027 2.485 . . . . 0.0 112.69 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 32.8 ptt-85 40.05 30.83 0.08 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 128.898 2.879 . . . . 0.0 116.732 177.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 128.811 2.844 . . . . 0.0 114.596 179.627 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.869 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 74.89 -34.63 1.04 Allowed Glycine 0 CA--C 1.532 1.132 0 C-N-CA 127.047 2.261 . . . . 0.0 111.541 -177.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -66.05 -18.58 65.44 Favored 'General case' 0 CA--C 1.549 0.918 0 O-C-N 121.653 -0.91 . . . . 0.0 109.879 169.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.465 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 94.8 m -61.66 -26.87 68.28 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 125.847 1.659 . . . . 0.0 112.728 174.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.7 m -111.99 140.31 32.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 124.583 1.153 . . . . 0.0 112.182 -174.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -66.25 -37.73 86.21 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 120.855 -1.153 . . . . 0.0 111.413 177.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.58 143.73 41.68 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.541 1.936 . . . . 0.0 108.846 175.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -81.33 125.49 30.43 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.14 0.976 . . . . 0.0 109.452 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 45.67 59.66 14.62 Favored Pre-proline 0 CA--C 1.547 0.83 0 C-N-CA 124.946 1.298 . . . . 0.0 113.27 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -63.15 147.0 94.53 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.198 2.598 . . . . 0.0 111.361 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -78.95 144.28 34.96 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.176 -1.577 . . . . 0.0 109.448 175.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -119.64 31.41 6.57 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 114.527 1.306 . . . . 0.0 114.527 -176.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.89 36.94 68.08 Favored Glycine 0 CA--C 1.535 1.308 0 C-N-CA 123.382 0.515 . . . . 0.0 113.186 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 84.22 7.07 0.59 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 128.82 2.848 . . . . 0.0 114.739 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.411 HG22 HD13 ' A' ' 18' ' ' LEU . 95.7 m -69.49 118.49 12.44 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.296 -1.503 . . . . 0.0 111.584 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.7 m -122.99 109.84 14.62 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.65 1.18 . . . . 0.0 110.319 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD13 HG22 ' A' ' 16' ' ' THR . 5.9 mp -119.22 145.28 46.18 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.312 1.845 . . . . 0.0 113.685 -175.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.92 -6.85 38.19 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.816 2.047 . . . . 0.0 113.584 176.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -147.57 149.49 32.68 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.766 1.227 . . . . 0.0 111.705 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 125.09 -177.09 17.03 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 125.154 1.359 . . . . 0.0 114.624 177.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.5 m -151.96 116.46 5.06 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.574 2.35 . . . . 0.0 108.287 176.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.01 77.01 2.21 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 115.848 1.795 . . . . 0.0 115.848 -174.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.6 mt -50.75 -31.07 15.63 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -177.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.4 mt -69.55 -20.44 63.68 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 177.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -100.56 -32.81 10.59 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.076 0.95 . . . . 0.0 109.904 174.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -66.07 110.6 3.01 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.252 0.549 . . . . 0.0 110.343 175.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.5 p -91.99 7.19 43.33 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 124.551 1.14 . . . . 0.0 112.484 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 93.66 149.19 24.89 Favored Glycine 0 CA--C 1.532 1.111 0 C-N-CA 124.919 1.247 . . . . 0.0 110.08 -176.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.465 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.0 t -53.19 167.49 0.18 Allowed 'General case' 0 C--O 1.238 0.481 0 C-N-CA 125.62 1.568 . . . . 0.0 114.218 -177.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.46 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -126.67 -12.41 6.04 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.269 172.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.7 t -72.99 -35.81 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 CA-C-N 119.889 1.222 . . . . 0.0 109.088 171.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.0 p -130.75 -16.05 3.38 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 116.387 1.995 . . . . 0.0 116.387 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 t 81.55 16.11 0.5 Allowed 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 116.547 2.054 . . . . 0.0 116.547 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -85.23 147.38 26.61 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 120.104 -1.622 . . . . 0.0 113.26 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -122.44 160.69 25.0 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.517 1.527 . . . . 0.0 110.146 175.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.273 3.9 p30 52.86 26.23 4.47 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.372 1.869 . . . . 0.0 114.691 -175.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -122.52 98.53 5.96 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 128.758 2.823 . . . . 0.0 111.254 -177.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.64 149.6 16.89 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 176.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.12 165.23 19.94 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 130.936 3.694 . . . . 0.0 109.561 178.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -125.76 132.2 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 C-N-CA 125.645 1.578 . . . . 0.0 106.796 175.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.439 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -146.07 174.74 11.03 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.783 0.833 . . . . 0.0 110.73 177.751 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 34.3 t30 57.56 18.07 4.36 Favored 'General case' 0 CA--C 1.556 1.193 0 C-N-CA 124.543 1.137 . . . . 0.0 113.485 174.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -60.84 109.92 1.19 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 127.542 2.337 . . . . 0.0 111.88 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 67.7 m -107.49 156.15 19.29 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 125.502 1.521 . . . . 0.0 112.12 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 tt -138.49 137.81 37.48 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.573 1.549 . . . . 0.0 110.378 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -131.95 146.69 52.25 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 126.498 1.919 . . . . 0.0 111.536 -178.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -138.92 116.31 11.2 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 117.855 0.298 . . . . 0.0 111.801 177.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -118.84 121.54 40.26 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.074 1.35 . . . . 0.0 113.185 173.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 15.7 t70 45.0 20.56 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 118.52 2.785 . . . . 0.0 118.52 172.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 119.63 -21.23 9.19 Favored Glycine 0 N--CA 1.479 1.504 0 C-N-CA 126.359 1.933 . . . . 0.0 113.07 -177.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -74.23 136.32 42.73 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.989 1.316 . . . . 0.0 108.752 174.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -117.93 129.84 55.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.759 1.624 . . . . 0.0 108.624 176.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -122.89 138.22 53.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 124.164 0.986 . . . . 0.0 109.263 -178.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 50.1 t -132.44 118.18 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 C-N-CA 124.771 1.228 . . . . 0.0 109.069 177.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 44.5 p -122.04 132.97 54.78 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.649 0.78 . . . . 0.0 112.07 178.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -150.98 -168.16 3.03 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -141.71 158.36 43.91 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 124.895 1.278 . . . . 0.0 109.911 179.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -108.38 138.68 44.26 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 106.436 -1.691 . . . . 0.0 106.436 172.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.439 ' CD1' HG22 ' A' ' 42' ' ' THR . 5.9 mp -132.76 131.04 40.73 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 124.698 1.199 . . . . 0.0 110.241 -175.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.1 t -57.64 123.97 17.45 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.536 1.134 . . . . 0.0 111.137 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -62.92 -12.82 27.85 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 120.177 -1.577 . . . . 0.0 111.855 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -96.05 -66.29 0.92 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.388 1.075 . . . . 0.0 111.943 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 23.6 p -94.44 -5.75 45.56 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -178.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.308 64.8 m80 52.83 19.85 1.43 Allowed 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 126.453 1.901 . . . . 0.0 114.964 -176.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.27 146.53 54.05 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 170.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.7 t -75.07 103.22 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 O-C-N 121.736 -0.602 . . . . 0.0 109.67 177.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.3 mt -60.08 -45.34 95.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.504 1.521 . . . . 0.0 110.909 179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.96 164.78 23.1 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.704 1.201 . . . . 0.0 112.03 -176.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -110.01 145.3 37.25 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.372 1.469 . . . . 0.0 108.699 173.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -127.14 138.72 53.22 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 125.336 1.454 . . . . 0.0 112.073 -178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -139.55 132.96 30.13 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 124.573 1.149 . . . . 0.0 108.666 174.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -131.94 126.24 33.58 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.523 -1.658 . . . . 0.0 106.523 174.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -128.92 135.78 49.5 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -130.32 127.5 39.59 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.026 0.931 . . . . 0.0 110.349 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -126.2 142.81 51.38 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 126.861 2.064 . . . . 0.0 113.706 -177.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 5.4 mt -114.34 121.46 66.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 171.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . 0.386 0.0 OUTLIER -119.96 121.05 38.12 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 174.55 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 30.5 t0 54.87 -67.93 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 128.719 2.807 . . . . 0.0 116.889 175.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -138.28 4.04 2.41 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.045 1.738 . . . . 0.0 112.652 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -131.39 173.38 11.14 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 119.675 1.125 . . . . 0.0 109.698 -175.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -124.41 143.51 50.58 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 125.612 1.565 . . . . 0.0 109.091 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -122.64 130.93 53.53 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 127.798 2.439 . . . . 0.0 110.008 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -122.15 130.7 53.46 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 125.15 1.38 . . . . 0.0 109.09 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.86 143.1 36.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 122.209 1.004 . . . . 0.0 109.47 176.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 54.8 ttp -138.62 144.5 39.77 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 125.663 1.585 . . . . 0.0 109.017 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.7 tp -151.08 105.05 3.19 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 126.143 1.777 . . . . 0.0 110.008 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 36.2 t -141.95 137.09 31.01 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 126.245 1.818 . . . . 0.0 109.906 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.7 tp -60.09 -33.36 71.99 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.21 1.004 . . . . 0.0 112.04 176.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 30.5 tp -96.68 -63.02 1.18 Allowed 'General case' 0 C--O 1.232 0.153 0 C-N-CA 125.242 1.417 . . . . 0.0 111.314 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 82.4 m -64.47 -39.45 93.84 Favored 'General case' 0 N--CA 1.448 -0.549 0 C-N-CA 123.996 0.918 . . . . 0.0 112.883 -173.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 129.9 175.78 14.17 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 117.692 1.837 . . . . 0.0 117.692 173.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -113.32 117.89 33.07 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 125.249 1.42 . . . . 0.0 110.294 174.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.73 157.17 44.58 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 -178.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -150.68 137.79 19.3 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.425 1.09 . . . . 0.0 111.139 175.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -141.73 152.51 43.89 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.261 1.825 . . . . 0.0 111.914 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -136.02 134.26 38.32 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.83 -0.544 . . . . 0.0 111.032 175.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 5.1 mt -122.21 127.26 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 125.665 1.586 . . . . 0.0 110.925 -177.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.0 p -83.49 133.88 34.87 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.448 -0.782 . . . . 0.0 109.671 174.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.4 pp -133.44 -178.28 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.252 1.021 . . . . 0.0 113.118 -176.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 72.5 mt -136.91 164.44 42.3 Favored Pre-proline 0 CA--C 1.544 0.716 0 C-N-CA 127.487 2.315 . . . . 0.0 109.715 -177.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -60.34 -17.24 45.98 Favored 'Trans proline' 0 CA--C 1.543 0.957 0 C-N-CA 122.855 2.37 . . . . 0.0 113.855 177.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -74.89 -3.51 32.44 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.636 1.574 . . . . 0.0 112.949 174.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 39.8 t0 51.16 54.62 15.39 Favored Pre-proline 0 CA--C 1.558 1.274 0 C-N-CA 127.511 2.324 . . . . 0.0 114.922 -179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -75.52 -24.01 12.43 Favored 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 123.734 2.956 . . . . 0.0 115.44 -177.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 86.2 mtt180 46.33 35.81 2.97 Favored 'General case' 0 N--CA 1.487 1.391 0 C-N-CA 126.816 2.046 . . . . 0.0 114.926 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 126.398 1.879 . . . . 0.0 113.222 -178.035 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 31' ' ' ALA . 0.8 OUTLIER . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 112.961 0.726 . . . . 0.0 112.961 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.06 -35.04 1.07 Allowed Glycine 0 CA--C 1.532 1.145 0 C-N-CA 126.83 2.157 . . . . 0.0 111.318 -176.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -66.0 -19.09 65.74 Favored 'General case' 0 CA--C 1.548 0.877 0 O-C-N 121.697 -0.884 . . . . 0.0 109.892 169.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' SG ' ' HA ' ' A' ' 30' ' ' CYS . 72.0 m -61.07 -27.6 68.47 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.239 1.816 . . . . 0.0 112.74 174.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.2 m -110.52 139.99 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 124.492 1.117 . . . . 0.0 111.781 -174.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -65.21 -40.77 94.6 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.856 1.263 . . . . 0.0 110.582 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -134.36 142.05 47.08 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 127.139 2.175 . . . . 0.0 109.31 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -81.98 124.17 29.53 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.562 0.745 . . . . 0.0 109.141 175.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 46.5 59.77 15.4 Favored Pre-proline 0 CA--C 1.546 0.821 0 C-N-CA 124.839 1.256 . . . . 0.0 113.237 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -63.03 145.95 94.4 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 123.289 2.659 . . . . 0.0 111.652 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -77.73 143.86 37.69 Favored 'General case' 0 CA--C 1.54 0.581 0 O-C-N 120.57 -1.331 . . . . 0.0 109.438 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -118.75 31.06 6.85 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -176.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 55.88 37.22 69.14 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 123.433 0.539 . . . . 0.0 113.025 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 83.51 7.03 0.7 Allowed 'General case' 0 CA--C 1.555 1.154 0 C-N-CA 128.78 2.832 . . . . 0.0 114.719 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.42 HG22 HD13 ' A' ' 18' ' ' LEU . 96.9 m -70.87 118.49 13.72 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.257 -1.527 . . . . 0.0 111.562 -179.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 66.6 m -122.08 109.23 14.29 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.634 1.174 . . . . 0.0 110.266 -179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.42 HD13 HG22 ' A' ' 16' ' ' THR . 5.9 mp -118.29 145.94 44.69 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.263 1.825 . . . . 0.0 113.527 -175.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -94.65 -7.71 40.03 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.238 1.815 . . . . 0.0 112.958 176.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.2 m-20 -145.25 156.73 44.01 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 110.38 -168.28 12.97 Favored Glycine 0 CA--C 1.535 1.313 0 C-N-CA 125.984 1.754 . . . . 0.0 114.791 176.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.2 m -152.23 119.82 6.06 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 127.029 2.131 . . . . 0.0 108.134 177.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -74.95 77.79 2.17 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 115.994 1.849 . . . . 0.0 115.994 -174.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.4 mt -51.45 -29.51 16.45 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 116.041 1.867 . . . . 0.0 116.041 -177.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.4 mt -70.77 -19.56 62.7 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 177.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -101.83 -33.79 9.67 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.448 1.099 . . . . 0.0 109.483 174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -65.78 108.99 2.29 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.652 0.66 . . . . 0.0 110.009 175.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 46.9 p -87.73 1.2 54.45 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.94 0.896 . . . . 0.0 112.19 178.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 98.0 150.58 26.45 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 125.803 1.668 . . . . 0.0 109.467 -175.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.458 ' HA ' ' SG ' ' A' ' 5' ' ' CYS . 6.3 t -53.01 167.5 0.16 Allowed 'General case' 0 C--O 1.239 0.518 0 C-N-CA 125.386 1.474 . . . . 0.0 114.346 -177.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.456 ' HB3' ' SG ' ' A' ' 2' ' ' CYS . . . -125.45 -11.55 6.82 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.326 1.051 . . . . 0.0 112.163 171.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.5 t -74.47 -35.61 39.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 119.614 1.097 . . . . 0.0 109.022 172.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.6 p -131.74 -15.72 3.04 Favored 'General case' 0 CA--C 1.552 1.032 0 N-CA-C 116.418 2.007 . . . . 0.0 116.418 -178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 t 81.08 16.37 0.55 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 116.261 1.948 . . . . 0.0 116.261 179.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -84.71 147.25 27.0 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 119.739 -1.851 . . . . 0.0 113.198 179.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -121.83 160.65 24.23 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 125.538 1.535 . . . . 0.0 110.107 175.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . 0.263 4.0 p30 52.14 26.75 4.07 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.357 1.863 . . . . 0.0 115.087 -175.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -121.74 99.31 6.39 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 128.726 2.81 . . . . 0.0 111.199 -177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.69 150.16 19.03 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 177.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.21 167.38 16.94 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 131.405 3.882 . . . . 0.0 109.712 178.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.1 mt -128.18 133.93 66.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 126.332 1.853 . . . . 0.0 107.083 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.453 HG22 ' CD1' ' A' ' 60' ' ' LEU . 0.8 OUTLIER -147.16 173.58 12.39 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.664 0.785 . . . . 0.0 111.801 178.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . 0.267 0.0 OUTLIER 55.98 13.18 1.07 Allowed 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 127.432 2.293 . . . . 0.0 115.355 179.438 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.1 tttt -53.75 113.82 1.33 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 128.066 2.546 . . . . 0.0 114.351 -177.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.3 m -107.51 156.19 19.25 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 125.517 1.527 . . . . 0.0 112.68 176.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.1 tt -138.73 137.82 37.11 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.062 1.745 . . . . 0.0 109.167 176.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -131.81 146.68 52.27 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 126.095 1.758 . . . . 0.0 111.003 -178.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -138.77 116.15 11.19 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 120.952 0.406 . . . . 0.0 110.473 174.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -118.87 121.51 40.15 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.351 1.46 . . . . 0.0 113.388 174.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 46.23 20.83 0.09 Allowed 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 118.446 2.758 . . . . 0.0 118.446 171.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.73 -20.87 9.92 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 126.16 1.838 . . . . 0.0 113.24 -177.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -75.71 137.15 40.44 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 124.736 1.214 . . . . 0.0 109.024 174.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -117.97 129.77 55.8 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 125.663 1.585 . . . . 0.0 108.712 176.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.7 mp -124.84 140.07 49.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 O-C-N 121.42 -0.8 . . . . 0.0 109.439 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.5 t -132.47 118.07 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 124.546 1.138 . . . . 0.0 108.648 177.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 43.7 p -122.08 133.9 54.77 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.843 0.857 . . . . 0.0 111.886 177.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -155.76 -170.33 3.38 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.6 158.25 44.07 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.979 1.312 . . . . 0.0 108.956 -178.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -112.12 140.49 46.77 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.297 1.439 . . . . 0.0 108.084 176.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 42' ' ' THR . 6.3 mp -132.16 134.44 45.4 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.812 1.245 . . . . 0.0 111.022 -176.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -59.49 122.92 15.23 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.546 1.138 . . . . 0.0 110.711 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.0 tptt -62.67 -13.33 30.89 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 120.052 -1.655 . . . . 0.0 111.808 178.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -94.83 -67.46 0.85 Allowed 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.418 1.087 . . . . 0.0 111.706 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 25.3 p -93.28 -5.96 48.58 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -177.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . 0.299 72.4 m80 53.38 21.52 2.41 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.361 1.865 . . . . 0.0 115.023 -177.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.42 146.78 51.76 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.965 1.306 . . . . 0.0 107.592 169.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.5 t -75.74 105.47 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 O-C-N 121.598 -0.689 . . . . 0.0 109.929 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.5 mt -62.16 -46.01 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 C-N-CA 125.591 1.556 . . . . 0.0 111.176 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -163.2 168.53 20.57 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.595 1.158 . . . . 0.0 112.744 -175.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -116.43 140.48 49.3 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.041 1.736 . . . . 0.0 109.147 174.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -124.32 139.18 54.15 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.007 1.723 . . . . 0.0 112.674 -176.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -139.38 131.96 28.8 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 124.697 1.199 . . . . 0.0 108.631 174.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -131.23 126.68 36.13 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 106.623 -1.621 . . . . 0.0 106.623 173.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.1 p -129.25 135.78 49.24 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -128.78 127.07 41.26 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.917 0.887 . . . . 0.0 110.179 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 m -127.88 142.95 51.13 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.52 1.928 . . . . 0.0 113.658 -176.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.02 122.0 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 O-C-N 121.056 -1.028 . . . . 0.0 109.922 174.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 4.2 ptp -119.43 115.83 24.89 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.728 1.211 . . . . 0.0 113.833 177.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 51.21 -68.88 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 128.534 2.734 . . . . 0.0 117.471 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -136.36 5.95 3.0 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.993 2.117 . . . . 0.0 112.11 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -131.44 170.44 14.68 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 120.879 -1.138 . . . . 0.0 109.613 -175.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -122.96 143.49 49.87 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 124.8 1.24 . . . . 0.0 109.332 176.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -121.25 130.6 53.75 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 126.934 2.094 . . . . 0.0 109.504 -178.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -122.23 130.11 52.87 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 125.012 1.325 . . . . 0.0 109.235 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 p -139.91 142.71 36.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 122.173 0.987 . . . . 0.0 109.467 177.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 55.9 ttp -139.02 145.08 39.21 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 125.788 1.635 . . . . 0.0 109.371 177.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.9 tp -151.62 105.41 3.14 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.22 1.808 . . . . 0.0 110.286 -179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 39.2 t -142.64 137.13 29.77 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 126.23 1.812 . . . . 0.0 110.099 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.7 tp -59.19 -34.13 71.78 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.244 1.018 . . . . 0.0 111.785 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 32.2 tp -96.49 -63.33 1.15 Allowed 'General case' 0 C--O 1.232 0.161 0 C-N-CA 124.988 1.315 . . . . 0.0 111.276 179.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 74.6 m -64.29 -37.42 87.42 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -173.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 128.15 175.16 13.97 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 117.611 1.804 . . . . 0.0 117.611 172.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -113.77 117.02 30.31 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 125.288 1.435 . . . . 0.0 110.321 175.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.61 157.26 44.55 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -150.46 137.81 19.57 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.383 1.073 . . . . 0.0 110.974 175.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -141.79 152.5 43.8 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 126.189 1.796 . . . . 0.0 111.741 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -135.97 133.92 38.06 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.852 -0.53 . . . . 0.0 110.762 174.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . . . . . . . . . 7.9 mt -122.23 125.96 73.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 125.172 1.389 . . . . 0.0 110.731 -177.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.2 p -82.69 133.34 35.16 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.529 -0.732 . . . . 0.0 109.53 174.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 2.3 pp -132.75 177.6 6.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.533 1.133 . . . . 0.0 113.331 -176.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 68.2 mt -139.63 160.92 59.34 Favored Pre-proline 0 CA--C 1.545 0.786 0 C-N-CA 126.785 2.034 . . . . 0.0 110.469 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -62.03 -17.17 54.62 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 123.162 2.575 . . . . 0.0 113.684 177.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -74.31 -2.16 23.9 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 125.636 1.574 . . . . 0.0 113.049 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 49.5 t0 52.79 56.79 14.92 Favored Pre-proline 0 CA--C 1.554 1.116 0 C-N-CA 127.003 2.121 . . . . 0.0 114.89 -179.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -73.52 -26.1 14.42 Favored 'Trans proline' 0 CA--C 1.543 0.933 0 C-N-CA 122.921 2.414 . . . . 0.0 112.609 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 39.01 33.54 0.08 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 128.832 2.853 . . . . 0.0 116.444 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 . . . . . 0 N--CA 1.473 0.713 0 C-N-CA 128.47 2.708 . . . . 0.0 114.321 179.735 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_