data_2map_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 2map _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.9 p . . . . . 0 C--O 1.231 0.113 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.34 -15.97 51.47 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.741 -0.599 . . . . 0.0 110.672 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -72.19 -37.78 69.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.971 -0.456 . . . . 0.0 110.886 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 m -83.43 -26.55 7.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 CA-C-N 118.187 0.449 . . . . 0.0 110.001 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.9 tp -80.38 -31.2 37.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.166 -175.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.9 t -75.87 -36.03 31.56 Favored 'Isoleucine or valine' 0 C--N 1.338 0.077 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -72.55 -26.47 61.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 122.138 -0.351 . . . . 0.0 110.283 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -73.7 -30.1 62.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.157 -0.339 . . . . 0.0 110.71 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -75.44 -28.39 20.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 CA-C-N 117.96 0.346 . . . . 0.0 110.421 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -72.35 -15.95 61.87 Favored 'General case' 0 CA--C 1.527 0.084 0 O-C-N 121.822 -0.549 . . . . 0.0 110.858 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -83.98 6.06 23.34 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.61 0.364 . . . . 0.0 111.38 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.57 7.64 64.77 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.65 -0.528 . . . . 0.0 113.289 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -80.19 111.25 16.38 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 118.308 1.054 . . . . 0.0 110.091 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -80.2 -29.46 38.6 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 122.301 -0.249 . . . . 0.0 110.953 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.608 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.5 mmpt? -69.97 -30.44 67.8 Favored 'General case' 0 N--CA 1.457 -0.111 0 O-C-N 122.065 -0.397 . . . . 0.0 109.953 -178.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.54 -29.92 70.11 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 176.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -74.38 -29.97 61.77 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.229 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -64.77 -35.78 82.17 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 122.097 -0.377 . . . . 0.0 110.641 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.86 -24.93 58.65 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.1 tp -75.28 -29.81 60.22 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -70.75 -45.05 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.83 -23.69 33.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 O-C-N 122.353 -0.217 . . . . 0.0 110.512 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -73.76 -35.89 65.06 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.847 0.459 . . . . 0.0 111.534 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -114.65 -2.61 13.03 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -175.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -58.95 -30.9 68.24 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 119.518 1.053 . . . . 0.0 112.849 -173.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -85.17 -29.03 25.09 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-N 118.089 0.404 . . . . 0.0 110.701 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -80.81 -33.62 34.63 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.987 0.515 . . . . 0.0 110.8 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.5 p -79.28 -28.84 13.48 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.13 -26.93 66.04 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.297 -0.252 . . . . 0.0 110.691 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.7 m -79.01 -21.99 46.14 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 122.899 0.48 . . . . 0.0 110.943 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -83.78 -44.25 14.58 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.3 m -78.78 -22.24 12.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-N 118.812 0.733 . . . . 0.0 111.654 -176.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 94.0 p -62.03 -14.9 40.21 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.086 0.403 . . . . 0.0 110.779 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -79.35 -9.39 59.58 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.258 0.623 . . . . 0.0 111.29 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -126.91 -14.7 5.54 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -177.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.7 m -136.31 153.34 76.35 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-N 118.418 0.554 . . . . 0.0 110.545 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.26 161.58 45.29 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.464 2.776 . . . . 0.0 109.955 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.2 t -58.61 -21.52 53.68 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.857 0.463 . . . . 0.0 112.154 -175.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.33 -14.2 80.95 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.426 -0.652 . . . . 0.0 112.715 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -118.34 -6.2 10.8 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 118.149 0.975 . . . . 0.0 112.16 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.1 t -57.29 -51.68 79.9 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-O 118.497 -0.763 . . . . 0.0 111.965 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -67.11 -22.55 47.15 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 121.372 1.381 . . . . 0.0 111.907 -174.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -84.66 -32.13 23.79 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.033 0.378 . . . . 0.0 110.784 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.7 t -80.76 -29.55 11.72 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 C-N-CA 122.519 0.328 . . . . 0.0 110.238 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.7 t -70.85 -38.44 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -72.59 -27.84 62.42 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -77.94 -24.19 48.3 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.195 -0.316 . . . . 0.0 110.404 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.35 -31.32 58.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 122.066 -0.396 . . . . 0.0 111.133 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -81.9 -32.44 30.94 Favored 'General case' 0 C--N 1.341 0.198 0 O-C-N 122.032 -0.418 . . . . 0.0 110.975 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.54 -30.44 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 O-C-N 121.695 -0.628 . . . . 0.0 110.227 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -73.4 -32.5 64.48 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.37 -29.66 57.27 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.76 -0.2 . . . . 0.0 110.556 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -62.6 -42.32 99.5 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 118.263 0.483 . . . . 0.0 111.143 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -92.07 -6.42 51.02 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.21 -7.2 16.06 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tt -72.31 -18.56 61.77 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.963 0.505 . . . . 0.0 110.445 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.77 -7.55 51.16 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.19 -0.319 . . . . 0.0 110.413 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -113.87 7.76 17.1 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.967 0.907 . . . . 0.0 110.748 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -69.25 131.32 44.7 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 -99.46 -14.49 19.08 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.64 21.06 77.72 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.554 -0.619 . . . . 0.0 111.554 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -68.37 -10.31 54.16 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.119 0.568 . . . . 0.0 111.367 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.9 t -157.55 174.12 15.85 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.207 1.003 . . . . 0.0 109.088 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.5 155.62 11.86 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 122.806 0.442 . . . . 0.0 110.013 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.24 -33.56 76.1 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -172.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -72.42 -25.18 61.38 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.959 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.1 m -65.54 -35.59 81.29 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -81.99 -33.6 30.07 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.254 0.622 . . . . 0.0 110.492 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -33.93 71.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -64.8 -42.22 95.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -68.06 -33.89 75.41 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-O 119.579 -0.248 . . . . 0.0 111.438 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.5 mt -74.99 -37.44 41.14 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.143 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.84 74.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.97 -34.69 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.173 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -78.39 -23.11 46.95 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 119.403 -0.332 . . . . 0.0 110.859 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.5 m -74.74 -38.66 62.2 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 118.755 0.707 . . . . 0.0 109.318 175.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.79 -31.06 61.63 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.368 -0.208 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -81.77 -28.01 33.47 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 122.136 -0.353 . . . . 0.0 111.295 178.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -73.54 -21.14 60.46 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 118.068 0.394 . . . . 0.0 110.193 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -75.86 -31.92 59.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.563 0.345 . . . . 0.0 111.062 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.71 -28.41 62.65 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.181 -0.324 . . . . 0.0 111.402 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 C--N 1.337 0.046 0 CA-C-N 117.809 0.277 . . . . 0.0 111.509 178.871 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.8 p . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.979 0.419 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.17 -14.95 28.87 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.587 0.355 . . . . 0.0 111.58 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -72.31 -43.38 64.27 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.779 -0.575 . . . . 0.0 110.747 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.1 m -84.47 -24.34 7.4 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 O-C-N 122.007 -0.433 . . . . 0.0 110.501 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.5 tp -77.07 -28.85 54.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.878 -0.146 . . . . 0.0 110.729 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.9 t -76.95 -36.68 25.68 Favored 'Isoleucine or valine' 0 C--O 1.23 0.074 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -70.94 -26.15 63.05 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 121.882 -0.511 . . . . 0.0 110.193 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -75.87 -28.05 58.01 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.604 0.361 . . . . 0.0 110.918 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.43 -28.89 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 CA-C-N 117.94 0.336 . . . . 0.0 110.188 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -70.96 -15.49 62.59 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.162 0.437 . . . . 0.0 109.99 174.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -78.44 -2.23 37.47 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.917 0.487 . . . . 0.0 110.63 173.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.05 10.04 63.04 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 123.357 0.503 . . . . 0.0 112.632 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -81.45 112.52 18.78 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.047 0.924 . . . . 0.0 110.503 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -80.08 -27.79 39.22 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.475 0.31 . . . . 0.0 110.913 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.8 mmpt? -66.6 -32.18 73.35 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.19 -28.82 62.41 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.768 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -75.45 -34.2 60.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.861 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -59.57 -37.51 78.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.1 -0.375 . . . . 0.0 110.772 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.62 -23.62 58.73 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.378 0.536 . . . . 0.0 110.359 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.6 tp -75.78 -28.8 58.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.6 t -72.12 -46.18 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.3 -23.39 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 117.811 0.278 . . . . 0.0 110.818 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -72.28 -38.85 68.71 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.018 0.527 . . . . 0.0 111.586 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -114.37 -1.19 13.58 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -174.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -58.75 -30.96 67.9 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 119.418 1.008 . . . . 0.0 112.96 -174.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -86.93 -27.19 23.5 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.549 0.613 . . . . 0.0 111.249 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -80.46 -34.75 35.71 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.33 0.252 . . . . 0.0 110.412 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 p -79.56 -29.07 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.37 -25.23 64.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.177 -0.327 . . . . 0.0 110.341 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.7 m -79.45 -21.85 44.93 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.937 0.495 . . . . 0.0 110.267 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 tp -84.86 -45.63 12.09 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.9 m -77.19 -22.24 14.47 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.04 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.543 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.8 p -62.24 -14.57 39.71 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.772 0.26 . . . . 0.0 110.954 177.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -78.4 -9.82 59.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.319 0.648 . . . . 0.0 111.332 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -126.74 -14.67 5.63 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.63 152.93 75.46 Favored Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 118.37 0.532 . . . . 0.0 110.599 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -69.94 160.41 49.75 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.466 2.778 . . . . 0.0 109.797 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.5 m -59.2 -15.25 13.96 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.573 0.749 . . . . 0.0 112.828 -175.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.4 -15.14 80.5 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-O 119.394 -0.67 . . . . 0.0 112.491 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -118.73 -4.76 10.71 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 117.962 0.881 . . . . 0.0 112.144 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.409 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 56.1 t -57.45 -50.19 89.57 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.333 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.9 Cg_endo -67.16 -22.03 47.64 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 121.491 1.46 . . . . 0.0 111.982 -174.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -84.5 -31.77 24.31 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 118.15 0.432 . . . . 0.0 110.694 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 73.7 t -80.88 -29.62 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 C-N-CA 122.357 0.263 . . . . 0.0 110.374 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.7 t -72.2 -38.12 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 176.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -73.25 -27.06 61.37 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.311 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -78.53 -24.14 45.87 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.123 -0.36 . . . . 0.0 110.286 176.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.69 -30.5 56.74 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 122.263 -0.273 . . . . 0.0 111.302 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -82.55 -34.92 27.65 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 118.06 0.391 . . . . 0.0 110.922 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.64 -28.48 27.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 118.516 0.598 . . . . 0.0 110.095 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -75.31 -31.63 60.72 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.31 -32.9 64.88 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.65 -40.14 96.12 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.214 0.461 . . . . 0.0 111.527 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -85.61 -9.95 56.53 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.36 -7.44 14.8 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 tt -73.59 -19.99 60.73 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 122.653 0.381 . . . . 0.0 110.746 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.38 -8.54 55.55 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.084 -0.385 . . . . 0.0 110.2 174.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 m -114.85 6.08 15.35 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.043 0.937 . . . . 0.0 111.082 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -68.04 131.3 45.2 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -99.41 -17.45 17.97 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.94 22.72 68.18 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.87 -9.33 43.81 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.148 0.579 . . . . 0.0 110.716 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.0 t -156.53 173.19 17.28 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.212 1.005 . . . . 0.0 108.834 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.69 154.51 11.53 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -62.65 -34.38 76.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 121.815 -0.553 . . . . 0.0 112.36 -172.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -75.62 -19.6 59.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 119.961 -0.696 . . . . 0.0 111.752 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.8 m -69.23 -34.64 75.14 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 76.0 t90 -82.3 -29.03 31.37 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.166 0.586 . . . . 0.0 110.751 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.44 -40.19 62.11 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -62.44 -37.73 87.0 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -68.5 -36.93 79.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.684 0.794 . . . . 0.0 111.059 -177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.4 mt -77.42 -37.01 24.49 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.148 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.76 82.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -175.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.444 HG23 ' HE2' ' A' ' 83' ' ' LYS . 9.0 p -72.86 -36.54 52.29 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.885 177.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -76.64 -18.3 58.67 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 119.432 -0.318 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.4 m -79.78 -38.59 32.77 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 118.73 0.695 . . . . 0.0 109.496 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.07 -31.49 62.86 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.295 -0.253 . . . . 0.0 110.731 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.444 ' HE2' HG23 ' A' ' 79' ' ' VAL . 47.8 mtmt -76.45 -30.81 57.5 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 121.834 -0.541 . . . . 0.0 110.746 176.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -71.73 -22.43 61.62 Favored 'General case' 0 CA--C 1.527 0.078 0 CA-C-N 118.022 0.374 . . . . 0.0 110.107 176.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -76.02 -26.53 56.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.346 0.258 . . . . 0.0 110.897 177.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.4 mt -81.2 -21.21 39.78 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.665 -0.647 . . . . 0.0 112.192 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 CA--C 1.523 -0.076 0 CA-C-N 118.054 0.388 . . . . 0.0 111.229 178.072 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.866 0.365 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.75 -14.81 35.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.132 -0.355 . . . . 0.0 111.702 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -73.67 -44.94 55.36 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.703 -0.623 . . . . 0.0 110.489 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.8 m -84.17 -23.24 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-N 117.804 0.274 . . . . 0.0 110.692 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.6 tp -77.7 -28.6 51.0 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.9 t -76.04 -38.24 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -66.37 -29.04 69.13 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -79.16 -30.12 43.39 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.333 0.253 . . . . 0.0 111.353 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.9 t -76.28 -37.78 32.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-N 118.162 0.437 . . . . 0.0 111.291 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -76.07 -15.17 60.16 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.31 0.504 . . . . 0.0 111.291 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -79.3 2.84 19.96 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.777 0.431 . . . . 0.0 111.641 170.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.23 5.62 40.13 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-O 119.03 -0.872 . . . . 0.0 114.827 171.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -85.38 109.84 18.71 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.945 1.372 . . . . 0.0 110.344 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -80.24 -29.18 38.4 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 121.947 -0.471 . . . . 0.0 111.115 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.575 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.8 mmpt? -71.27 -30.99 66.96 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.89 -26.93 67.85 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -75.67 -31.07 59.6 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.49 -35.28 79.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 122.135 -0.353 . . . . 0.0 110.335 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.22 -26.22 60.12 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 122.239 -0.288 . . . . 0.0 110.325 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.7 tp -75.24 -28.24 59.79 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.425 0.29 . . . . 0.0 110.242 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.8 t -72.35 -45.41 60.62 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.3 t -64.62 -23.7 33.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 O-C-N 122.202 -0.311 . . . . 0.0 110.685 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -72.58 -37.71 68.09 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.264 0.625 . . . . 0.0 111.903 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -114.68 -1.4 13.32 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -175.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -58.85 -32.16 69.18 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 119.338 0.972 . . . . 0.0 113.044 -173.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -86.74 -26.69 24.07 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.024 0.375 . . . . 0.0 111.01 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -81.54 -33.27 31.86 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.558 0.343 . . . . 0.0 110.609 -177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.8 p -79.8 -29.33 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.77 -28.57 66.91 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.083 -0.385 . . . . 0.0 110.854 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.5 m -78.33 -22.32 48.26 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.205 0.202 . . . . 0.0 110.689 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.5 tp -82.24 -43.84 17.09 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-O 119.39 -0.338 . . . . 0.0 111.686 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.2 m -78.41 -20.24 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.05 0 CA-C-N 118.75 0.705 . . . . 0.0 111.186 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.5 t -61.69 -16.14 46.4 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.714 0.292 . . . . 0.0 110.528 176.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -78.88 -12.35 60.03 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.081 0.552 . . . . 0.0 111.448 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.94 -13.37 5.77 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.42 154.59 77.05 Favored Pre-proline 0 N--CA 1.463 0.21 0 CA-C-N 118.709 0.686 . . . . 0.0 111.2 176.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -58.85 156.27 33.97 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.628 2.885 . . . . 0.0 111.011 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.3 p -62.24 -17.94 59.79 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.58 -13.14 83.52 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 119.595 -0.558 . . . . 0.0 112.149 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -117.0 -4.49 11.5 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.044 0.922 . . . . 0.0 111.839 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.403 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 46.6 t -58.24 -51.19 83.62 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-O 118.281 -0.866 . . . . 0.0 112.002 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 59.9 Cg_endo -66.83 -23.1 48.33 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 121.546 1.497 . . . . 0.0 112.12 -174.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -84.39 -31.95 24.43 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 117.97 0.35 . . . . 0.0 110.774 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.2 t -81.8 -29.19 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 122.427 0.291 . . . . 0.0 110.305 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.2 t -70.32 -38.65 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -71.59 -28.08 63.58 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.314 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.28 -24.62 46.71 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 122.171 -0.331 . . . . 0.0 110.258 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.57 -30.79 52.74 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.257 -0.277 . . . . 0.0 111.214 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -80.56 -34.38 35.41 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 117.905 0.32 . . . . 0.0 110.847 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.86 -29.66 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 118.598 0.636 . . . . 0.0 110.502 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -73.3 -32.25 64.51 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.79 -35.19 62.52 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.26 -37.6 83.7 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 118.279 0.49 . . . . 0.0 111.509 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -90.5 -9.93 45.47 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.45 -6.25 15.5 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 tt -73.41 -22.99 60.09 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.183 0.593 . . . . 0.0 111.146 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.31 -10.16 56.57 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.06 -0.4 . . . . 0.0 110.568 176.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.5 m -109.18 6.9 25.18 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.861 0.864 . . . . 0.0 110.915 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -67.75 132.1 46.8 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -99.55 -16.34 18.32 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.43 22.1 71.12 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -68.53 -9.13 47.22 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.048 0.539 . . . . 0.0 111.051 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.7 t -157.4 174.15 15.84 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.03 0.932 . . . . 0.0 108.833 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.47 155.06 12.73 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -63.71 -33.19 75.1 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -173.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -74.46 -22.59 59.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 120.0 -0.68 . . . . 0.0 111.321 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 m -67.91 -33.86 75.53 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -82.05 -33.82 29.74 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.24 0.616 . . . . 0.0 110.482 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.69 -35.09 72.62 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -64.41 -39.78 94.51 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.867 0.467 . . . . 0.0 110.061 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -67.59 -36.63 81.24 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 117.431 0.105 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.6 mt -74.67 -36.23 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.75 73.8 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 117.891 0.314 . . . . 0.0 111.746 -175.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.3 p -72.72 -32.61 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 CA-C-N 118.146 0.43 . . . . 0.0 110.061 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -82.53 -22.03 35.16 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.411 -0.328 . . . . 0.0 111.202 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.5 m -75.85 -38.97 57.46 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 118.85 0.75 . . . . 0.0 109.308 175.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.65 -28.15 58.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 122.279 -0.263 . . . . 0.0 110.836 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -81.65 -32.36 31.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.015 -0.428 . . . . 0.0 110.884 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -71.64 -21.1 61.87 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -74.63 -27.29 60.38 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 122.226 -0.296 . . . . 0.0 110.737 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.45 -21.14 53.41 Favored 'General case' 0 C--N 1.338 0.108 0 O-C-N 121.831 -0.543 . . . . 0.0 112.279 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.227 -0.129 0 CA-C-N 118.419 0.554 . . . . 0.0 111.162 176.542 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.7 p . . . . . 0 CA--C 1.528 0.118 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -64.58 -17.97 64.45 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 121.93 -0.481 . . . . 0.0 111.155 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -76.35 -46.82 25.77 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.151 -0.343 . . . . 0.0 110.543 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.96 -27.02 10.9 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 CA-C-N 117.891 0.314 . . . . 0.0 110.678 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.0 tp -70.98 -27.52 63.77 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.1 t -77.88 -34.52 19.71 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 O-C-N 122.33 -0.231 . . . . 0.0 110.469 175.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.79 -29.64 68.87 Favored 'General case' 0 C--N 1.337 0.059 0 O-C-N 121.83 -0.544 . . . . 0.0 109.884 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -71.53 -31.63 67.26 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -74.4 -29.46 24.24 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -71.38 -15.43 62.37 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.235 0.47 . . . . 0.0 110.889 176.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -84.32 4.62 30.32 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.666 0.387 . . . . 0.0 111.149 173.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.94 7.25 64.51 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-O 119.451 -0.638 . . . . 0.0 112.868 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -79.7 108.19 13.05 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 118.261 1.03 . . . . 0.0 109.94 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -80.16 -25.05 39.97 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.225 -0.297 . . . . 0.0 110.467 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.597 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -73.15 -30.37 63.54 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 122.093 -0.379 . . . . 0.0 110.167 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.79 -28.33 67.5 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -74.43 -30.45 61.91 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.831 -0.347 . . . . 0.0 110.092 177.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -65.67 -36.14 82.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.834 -0.541 . . . . 0.0 110.28 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.63 -26.95 61.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.4 tp -75.39 -29.5 59.85 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.685 0.394 . . . . 0.0 110.133 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.5 t -72.08 -46.18 59.97 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.098 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.79 -23.7 33.99 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 O-C-N 122.252 -0.28 . . . . 0.0 110.537 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -75.55 -32.77 60.56 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.779 0.432 . . . . 0.0 111.803 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -116.19 -2.74 12.11 Favored 'General case' 0 C--O 1.228 -0.059 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -59.04 -31.9 69.26 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 119.18 0.9 . . . . 0.0 112.87 -172.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.2 p-80 -85.44 -27.03 26.0 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.115 0.416 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -81.52 -34.79 31.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.6 p -78.68 -29.89 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 110.537 -0.172 . . . . 0.0 110.537 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.0 -26.75 66.06 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.3 m -79.31 -22.01 45.18 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 122.688 0.395 . . . . 0.0 110.853 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.9 tp -83.5 -43.33 15.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.804 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 m -80.49 -21.45 11.47 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.059 0 CA-C-N 118.777 0.717 . . . . 0.0 111.639 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.9 p -63.38 -15.6 57.99 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.102 0.41 . . . . 0.0 110.862 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -75.56 -11.6 60.05 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.141 0.576 . . . . 0.0 110.904 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -126.95 -13.16 5.8 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -174.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.6 m -137.07 155.43 76.13 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 118.633 0.651 . . . . 0.0 111.31 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 157.41 35.13 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.613 2.875 . . . . 0.0 110.97 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.1 p -62.1 -18.54 61.09 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 111.628 0.232 . . . . 0.0 111.628 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.67 -12.96 83.68 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.523 -0.599 . . . . 0.0 112.324 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -117.9 -3.93 11.14 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.07 0.935 . . . . 0.0 111.957 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.414 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.9 t -58.01 -50.54 87.54 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.724 177.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.5 Cg_endo -66.59 -22.72 50.57 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 CA-C-N 120.709 1.289 . . . . 0.0 111.865 -175.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -82.6 -32.6 28.32 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.012 -0.43 . . . . 0.0 110.633 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 77.6 t -82.57 -27.8 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 122.621 0.368 . . . . 0.0 110.539 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.0 t -72.55 -34.98 49.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -74.48 -21.09 59.75 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 121.177 -0.209 . . . . 0.0 110.534 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -84.73 -21.25 30.15 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.048 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.24 -34.56 28.79 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 122.166 -0.334 . . . . 0.0 111.461 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -80.59 -32.85 36.34 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 118.097 0.408 . . . . 0.0 110.92 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.16 -28.3 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -74.63 -31.79 62.1 Favored 'General case' 0 C--N 1.339 0.115 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.48 -35.7 63.28 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -62.95 -37.56 87.54 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.15 0.432 . . . . 0.0 111.44 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -87.92 -9.81 52.49 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.18 -6.85 15.42 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 177.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 tt -74.72 -18.89 60.43 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.56 0.744 . . . . 0.0 111.074 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.41 -8.76 53.31 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.225 -0.297 . . . . 0.0 110.414 175.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.4 m -114.94 8.58 15.91 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.864 0.866 . . . . 0.0 111.159 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -67.58 131.8 46.33 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -99.45 -18.57 17.39 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 123.154 0.582 . . . . 0.0 112.499 -174.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.15 21.23 74.03 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -69.38 -7.91 41.77 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.34 0.656 . . . . 0.0 111.368 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.422 ' HG ' HG21 ' A' ' 72' ' ' THR . 43.3 t -158.05 173.08 17.29 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.0 0.92 . . . . 0.0 109.272 177.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.45 152.66 21.08 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.78 -33.3 75.36 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -172.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -73.46 -22.16 60.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.822 0.737 . . . . 0.0 111.151 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.422 HG21 ' HG ' ' A' ' 68' ' ' SER . 19.6 m -68.56 -34.3 75.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -81.95 -32.07 30.94 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.169 0.587 . . . . 0.0 110.227 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.23 -35.52 71.49 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -64.18 -39.77 94.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -67.31 -36.44 81.5 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-O 119.714 -0.184 . . . . 0.0 110.764 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.15 -38.11 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.77 -40.25 79.79 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 118.097 0.408 . . . . 0.0 111.904 -174.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.33 -34.66 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.049 0 CA-C-N 118.177 0.444 . . . . 0.0 110.413 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -80.4 -16.87 53.46 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.25 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.5 m -82.63 -39.6 21.92 Favored 'General case' 0 CA--C 1.523 -0.083 0 CA-C-N 118.422 0.555 . . . . 0.0 109.524 174.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.73 -30.84 64.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 122.44 -0.163 . . . . 0.0 110.817 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -81.06 -27.03 35.88 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.269 -0.269 . . . . 0.0 111.278 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -75.14 -23.18 57.78 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -74.13 -32.34 63.13 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 121.876 -0.515 . . . . 0.0 110.905 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.99 -30.34 65.14 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.039 -0.413 . . . . 0.0 111.332 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.1 m . . . . . 0 N--CA 1.46 0.065 0 CA-C-N 117.715 0.234 . . . . 0.0 111.37 -179.147 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.826 0.346 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.08 -14.87 53.6 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.242 -0.286 . . . . 0.0 111.078 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -52.31 14.01 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 m -77.15 -25.99 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 117.842 0.292 . . . . 0.0 110.838 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.1 tp -74.18 -28.37 61.26 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.0 t -77.55 -35.12 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 175.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -70.74 -28.53 64.78 Favored 'General case' 0 C--N 1.338 0.074 0 O-C-N 121.91 -0.494 . . . . 0.0 110.523 176.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -72.51 -30.29 64.36 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 122.29 -0.256 . . . . 0.0 110.473 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.5 t -75.31 -28.43 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -72.09 -15.74 62.01 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.024 -0.422 . . . . 0.0 110.893 176.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -83.98 4.3 30.39 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.49 0.316 . . . . 0.0 110.93 173.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.47 6.88 63.91 Favored Glycine 0 CA--C 1.527 0.833 0 CA-C-O 119.768 -0.462 . . . . 0.0 112.848 175.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -78.76 108.76 12.43 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.249 1.024 . . . . 0.0 109.66 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -80.12 -26.84 39.3 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.6 mmpt? -72.3 -30.17 64.54 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.37 67.84 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -74.8 -29.92 61.25 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -65.84 -35.33 80.37 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 122.054 -0.404 . . . . 0.0 110.273 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.36 -25.25 59.4 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 122.02 -0.425 . . . . 0.0 109.926 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -76.38 -29.68 57.22 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.3 t -71.51 -46.1 65.06 Favored 'Isoleucine or valine' 0 C--N 1.339 0.123 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.9 t -64.32 -23.79 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 CA-C-N 117.775 0.261 . . . . 0.0 110.429 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -75.69 -32.73 60.22 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.606 0.362 . . . . 0.0 111.596 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -115.55 -2.86 12.42 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -59.85 -30.61 69.08 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.652 1.115 . . . . 0.0 113.027 -173.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -85.4 -27.65 25.65 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 118.097 0.408 . . . . 0.0 110.888 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -82.12 -33.34 29.73 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.494 0.318 . . . . 0.0 110.557 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 p -80.99 -29.33 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.38 -26.47 65.58 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.172 -0.33 . . . . 0.0 110.254 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 m -79.25 -22.4 44.82 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.516 0.326 . . . . 0.0 110.33 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.3 tp -84.22 -43.39 14.94 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.446 0.298 . . . . 0.0 111.743 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 m -78.97 -21.22 12.75 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.375 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.4 t -61.34 -15.58 37.39 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 122.257 -0.277 . . . . 0.0 110.929 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -80.22 -10.46 59.76 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.347 0.659 . . . . 0.0 111.41 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -127.1 -14.1 5.54 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.0 m -137.14 154.67 75.97 Favored Pre-proline 0 N--CA 1.461 0.122 0 CA-C-N 118.403 0.547 . . . . 0.0 110.264 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.94 161.1 47.25 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.254 2.636 . . . . 0.0 109.889 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.8 p -60.26 -18.83 51.71 Favored 'General case' 0 CA--C 1.526 0.055 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.27 -14.41 82.36 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 119.276 -0.735 . . . . 0.0 112.487 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -118.45 -6.95 10.72 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 117.997 0.898 . . . . 0.0 112.143 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.407 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 49.9 t -55.95 -50.86 84.81 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-O 118.291 -0.861 . . . . 0.0 112.217 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.4 Cg_endo -66.51 -22.45 51.53 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 121.579 1.519 . . . . 0.0 111.95 -173.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -86.21 -29.59 23.06 Favored 'General case' 0 C--N 1.335 -0.042 0 CA-C-N 118.045 0.384 . . . . 0.0 111.088 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.6 t -81.81 -31.01 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -69.91 -37.06 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -72.54 -26.35 61.71 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.763 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -81.73 -25.42 35.41 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.89 -31.5 59.25 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.133 0.173 . . . . 0.0 111.211 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -81.93 -33.89 30.13 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.02 0.373 . . . . 0.0 110.812 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.5 -29.64 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 118.741 0.701 . . . . 0.0 109.925 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -71.73 -34.41 69.53 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.68 -33.2 62.42 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.265 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -62.35 -39.8 94.3 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 118.009 0.368 . . . . 0.0 111.56 -176.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -92.91 -8.21 43.94 Favored 'General case' 0 C--N 1.339 0.127 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -103.77 -8.65 19.66 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.115 0.416 . . . . 0.0 111.915 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.7 tt -75.29 -18.41 60.06 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.708 0.803 . . . . 0.0 111.207 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.9 -8.86 52.2 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 122.286 -0.258 . . . . 0.0 110.539 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.7 m -114.86 7.14 15.64 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.006 0.922 . . . . 0.0 111.05 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -67.75 129.83 41.13 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -99.5 -15.96 18.49 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.07 22.29 71.67 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -69.22 -7.76 39.63 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.141 0.577 . . . . 0.0 110.96 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.405 ' HG ' HG22 ' A' ' 72' ' ' THR . 45.5 t -156.9 172.02 19.39 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.112 0.965 . . . . 0.0 108.947 176.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.18 153.67 21.55 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -63.95 -33.38 75.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.634 -0.426 . . . . 0.0 112.074 -173.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -71.18 -23.48 62.05 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.677 0.671 . . . . 0.0 110.978 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.405 HG22 ' HG ' ' A' ' 68' ' ' SER . 21.4 m -69.63 -34.41 74.02 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -82.27 -29.96 30.9 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 122.997 0.519 . . . . 0.0 110.722 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.16 -40.84 62.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.42 -40.83 97.81 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -65.25 -38.02 89.03 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.446 0.699 . . . . 0.0 111.017 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.2 mt -77.51 -36.37 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.55 -37.91 80.35 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.904 0.32 . . . . 0.0 111.755 -175.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.9 p -74.41 -33.73 34.25 Favored 'Isoleucine or valine' 0 C--N 1.337 0.037 0 CA-C-N 118.336 0.516 . . . . 0.0 110.139 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -78.98 -17.06 56.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 119.434 -0.317 . . . . 0.0 110.985 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.9 m -84.97 -38.65 19.02 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 118.325 0.511 . . . . 0.0 110.164 176.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.25 -28.95 61.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 122.34 -0.225 . . . . 0.0 111.139 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -80.27 -31.64 38.31 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.047 -0.408 . . . . 0.0 110.679 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -76.01 -19.15 58.92 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.068 0.461 . . . . 0.0 109.903 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -74.46 -30.07 61.72 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 121.865 -0.522 . . . . 0.0 110.521 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.12 -38.42 69.29 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.015 0.371 . . . . 0.0 111.221 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 C--N 1.339 0.111 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.609 178.586 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.8 p . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 121.113 0.482 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -66.78 -14.57 62.77 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 122.225 -0.297 . . . . 0.0 111.482 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -72.61 -43.23 63.58 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.043 -0.41 . . . . 0.0 110.511 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.4 p -81.8 -24.23 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 118.027 0.376 . . . . 0.0 110.252 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.2 tp -71.65 -28.1 63.52 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.2 t -75.7 -35.48 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.18 -29.04 66.94 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-N 118.401 0.546 . . . . 0.0 110.233 177.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -72.83 -29.95 63.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 122.311 -0.243 . . . . 0.0 110.65 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.3 t -75.64 -27.78 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -71.92 -15.95 62.1 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.969 0.349 . . . . 0.0 110.621 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -83.45 4.73 26.47 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.507 0.323 . . . . 0.0 110.94 172.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.19 10.47 68.62 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-O 119.615 -0.547 . . . . 0.0 112.892 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -77.53 114.56 16.49 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.187 0.994 . . . . 0.0 110.097 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -80.05 -26.93 39.5 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.695 0.398 . . . . 0.0 111.347 -179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.6 mmpt? -77.87 -30.24 50.78 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -177.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.53 -29.19 68.53 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -76.2 -31.94 58.71 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -62.3 -36.67 82.84 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 117.982 0.355 . . . . 0.0 110.508 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.77 -32.06 69.06 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.0 tp -71.42 -29.61 65.1 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.434 0.294 . . . . 0.0 110.482 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.3 t -72.04 -39.54 66.14 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -67.73 -24.21 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 O-C-N 122.053 -0.404 . . . . 0.0 110.477 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -75.0 -32.72 61.72 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-O 119.259 -0.4 . . . . 0.0 111.577 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -115.48 0.22 13.29 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 -175.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -60.99 -28.6 69.14 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.569 1.077 . . . . 0.0 112.89 -175.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -85.23 -26.33 26.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.385 0.538 . . . . 0.0 110.597 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.705 ' HE2' ' CZ ' ' A' ' 71' ' ' TYR . 2.4 tmtm? -74.51 -44.71 50.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.536 0.735 . . . . 0.0 110.646 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.421 HG12 ' CE2' ' A' ' 54' ' ' PHE . 11.5 p -74.11 -32.85 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.081 -177.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.98 -25.81 65.61 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.526 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.8 m -82.07 -21.53 36.8 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.046 0.539 . . . . 0.0 110.891 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -87.96 -39.78 14.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.675 0.39 . . . . 0.0 111.453 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -81.36 -23.7 10.33 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 CA-C-N 118.503 0.592 . . . . 0.0 111.094 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 99.0 p -62.27 -15.35 46.84 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.056 0.389 . . . . 0.0 110.696 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 -78.35 -8.57 58.59 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.415 0.686 . . . . 0.0 111.269 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -126.79 -17.86 4.86 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.7 m -133.65 153.59 80.24 Favored Pre-proline 0 CA--C 1.527 0.094 0 CA-C-N 118.551 0.614 . . . . 0.0 111.006 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.29 162.16 42.95 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.23 2.62 . . . . 0.0 109.825 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.7 p -59.92 -17.98 41.49 Favored 'General case' 0 C--N 1.338 0.086 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -174.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.38 -15.65 81.32 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.499 -0.611 . . . . 0.0 112.607 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -118.58 -5.88 10.71 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.669 0.734 . . . . 0.0 112.155 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.416 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.4 t -56.85 -50.1 90.03 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.903 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.5 Cg_endo -67.32 -22.54 45.88 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 121.402 1.401 . . . . 0.0 112.248 -175.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -82.39 -34.44 28.34 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.262 0.483 . . . . 0.0 110.458 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.7 t -79.04 -28.51 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 122.506 0.322 . . . . 0.0 110.195 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.6 t -72.73 -33.59 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.25 -24.24 60.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 119.565 -0.255 . . . . 0.0 111.067 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -81.87 -28.76 32.8 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 118.733 0.697 . . . . 0.0 110.094 174.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.04 75.77 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 121.876 -0.515 . . . . 0.0 111.364 -176.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.421 ' CE2' HG12 ' A' ' 33' ' ' VAL . 34.9 m-85 -84.29 -32.39 24.39 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 118.219 0.463 . . . . 0.0 111.124 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.09 -30.45 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-N 118.723 0.692 . . . . 0.0 110.002 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -74.45 -32.16 62.51 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.89 -33.63 64.1 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 119.625 -0.226 . . . . 0.0 110.523 176.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -64.3 -37.89 89.1 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 118.418 0.554 . . . . 0.0 111.326 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -87.47 -10.82 50.8 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -106.92 -7.36 17.08 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 tt -74.41 -20.08 60.18 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.359 0.664 . . . . 0.0 110.822 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.99 -8.19 53.09 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.099 -0.376 . . . . 0.0 110.315 174.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.6 m -114.67 12.55 17.18 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.13 0.972 . . . . 0.0 111.225 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -64.93 131.45 46.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 -99.69 -18.44 17.27 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 122.963 0.505 . . . . 0.0 111.993 -173.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.52 20.87 79.91 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 112.082 -0.407 . . . . 0.0 112.082 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -68.76 -10.31 55.82 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 117.521 0.661 . . . . 0.0 111.03 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.7 t -154.72 173.27 16.64 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.256 1.022 . . . . 0.0 108.469 175.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.15 153.56 17.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -62.67 -31.48 72.38 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 122.193 -0.317 . . . . 0.0 111.803 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.705 ' CZ ' ' HE2' ' A' ' 32' ' ' LYS . 62.0 t80 -70.32 -31.18 68.37 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.066 0.394 . . . . 0.0 111.095 -178.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.0 m -64.76 -34.73 79.02 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -81.99 -34.79 29.49 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.695 0.798 . . . . 0.0 111.107 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -35.74 81.97 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -66.85 -41.8 86.76 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.331 -0.366 . . . . 0.0 111.191 -177.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -62.86 -41.95 99.57 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 118.514 0.597 . . . . 0.0 111.191 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.9 mt -69.55 -35.19 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.71 85.22 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -175.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.0 p -76.42 -35.36 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 118.287 0.494 . . . . 0.0 110.35 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -77.35 -17.05 58.58 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 122.265 -0.272 . . . . 0.0 111.082 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.9 m -80.68 -38.46 28.96 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 118.368 0.531 . . . . 0.0 109.69 174.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.0 -29.15 60.8 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.349 -0.22 . . . . 0.0 110.984 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -79.94 -28.53 39.67 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.131 0.423 . . . . 0.0 110.789 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -73.36 -21.63 60.48 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -75.56 -29.9 59.52 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 119.559 -0.258 . . . . 0.0 110.678 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.5 mt -77.66 -32.44 53.2 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 118.13 0.423 . . . . 0.0 111.91 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.456 -0.148 0 CA-C-N 118.42 0.555 . . . . 0.0 110.02 176.761 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 C--O 1.227 -0.082 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.19 -17.45 62.42 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.678 -0.638 . . . . 0.0 111.415 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -76.61 -51.52 11.44 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.976 -0.452 . . . . 0.0 110.357 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.34 -28.11 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.048 0 CA-C-N 117.662 0.21 . . . . 0.0 110.625 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp -72.26 -28.9 63.43 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.7 t -77.12 -35.28 22.72 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 CA-C-O 119.42 -0.324 . . . . 0.0 110.758 175.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.52 -29.42 68.82 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 118.355 0.525 . . . . 0.0 110.307 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -80.09 -28.53 39.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.02 0.528 . . . . 0.0 111.71 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.75 -41.46 47.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 118.055 0.389 . . . . 0.0 110.914 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -74.26 -14.83 60.97 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.652 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -69.68 -10.77 59.59 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.687 0.795 . . . . 0.0 110.655 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.52 5.89 36.24 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.191 -0.783 . . . . 0.0 113.107 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -80.14 117.31 20.83 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.609 1.204 . . . . 0.0 110.377 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -80.62 -27.45 37.29 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 122.572 0.349 . . . . 0.0 111.602 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.9 mmpt? -78.08 -29.5 49.17 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -176.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -26.89 66.95 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -80.41 -36.24 34.03 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.002 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -62.17 -31.78 72.32 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.913 -0.492 . . . . 0.0 110.003 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mp -78.37 -28.07 46.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 tp -75.57 -31.17 59.9 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.813 0.445 . . . . 0.0 110.297 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.9 t -68.57 -48.83 70.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.64 -23.85 28.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 117.665 0.211 . . . . 0.0 110.59 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -65.84 -35.22 80.05 Favored 'General case' 0 N--CA 1.457 -0.122 0 O-C-N 122.149 -0.344 . . . . 0.0 110.966 178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -114.26 0.09 14.06 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -57.72 -40.64 80.07 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 118.785 0.721 . . . . 0.0 112.304 -173.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -81.58 -24.22 36.63 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 121.953 -0.467 . . . . 0.0 110.876 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -83.19 -36.42 24.68 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 122.393 0.277 . . . . 0.0 110.964 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 p -76.78 -27.77 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.19 -33.55 75.63 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.4 m -74.62 -22.05 59.13 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 122.22 0.208 . . . . 0.0 110.843 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.1 tp -82.31 -42.54 18.64 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 119.168 -0.444 . . . . 0.0 111.582 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 m -79.01 -21.57 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.038 0 CA-C-N 118.959 0.8 . . . . 0.0 111.324 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.9 m -60.03 -15.5 23.29 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.097 0.408 . . . . 0.0 111.037 176.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -81.26 -10.7 59.54 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 123.085 0.554 . . . . 0.0 111.52 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -127.06 -13.21 5.73 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -136.87 153.34 75.46 Favored Pre-proline 0 N--CA 1.463 0.223 0 CA-C-N 118.399 0.545 . . . . 0.0 110.729 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -70.09 160.92 47.9 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 123.642 2.895 . . . . 0.0 109.814 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.8 p -59.63 -17.14 31.12 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -174.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.17 -15.6 81.3 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 119.507 -0.607 . . . . 0.0 112.371 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -118.52 -6.01 10.73 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.839 0.82 . . . . 0.0 112.316 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.01 -51.89 78.24 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-O 118.381 -0.819 . . . . 0.0 112.097 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -67.55 -22.96 43.81 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 CA-C-N 120.842 1.337 . . . . 0.0 112.057 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -84.11 -31.87 25.03 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.175 -0.328 . . . . 0.0 110.836 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.6 t -81.49 -29.11 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.053 0 C-N-CA 122.777 0.431 . . . . 0.0 109.995 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.24 -38.05 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -72.65 -28.11 62.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.36 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -78.63 -23.11 46.02 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.133 -0.355 . . . . 0.0 110.279 176.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.95 -30.92 56.26 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 119.606 -0.235 . . . . 0.0 111.364 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -82.95 -33.81 26.62 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 117.995 0.361 . . . . 0.0 110.973 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.87 -29.09 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 118.695 0.679 . . . . 0.0 110.274 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -74.81 -32.67 62.04 Favored 'General case' 0 C--N 1.34 0.162 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.16 -35.79 69.13 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -61.83 -37.93 86.3 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.174 0.443 . . . . 0.0 111.686 -177.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -87.99 -9.9 52.05 Favored 'General case' 0 N--CA 1.457 -0.081 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.73 -5.28 15.02 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.2 tt -75.3 -22.97 57.31 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.356 0.662 . . . . 0.0 111.505 -175.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -70.8 -8.41 52.26 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.938 -0.476 . . . . 0.0 110.067 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m -110.97 9.36 22.22 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.804 0.842 . . . . 0.0 110.929 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -67.17 133.72 50.35 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.6 mtt85 -99.64 -17.9 17.58 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -174.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.24 22.08 76.75 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -68.59 -9.06 47.27 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.217 0.607 . . . . 0.0 110.914 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.2 t -158.41 174.77 14.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.321 1.049 . . . . 0.0 109.271 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.36 155.58 14.43 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -64.31 -32.83 74.58 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 121.947 -0.47 . . . . 0.0 112.04 -173.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -71.5 -25.55 62.3 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.741 0.7 . . . . 0.0 111.078 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 m -66.51 -35.53 80.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -81.82 -33.93 30.48 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.029 0.532 . . . . 0.0 110.393 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.27 -34.65 75.08 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -65.15 -39.52 93.11 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -67.09 -36.71 82.55 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 117.875 0.307 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.7 mt -73.8 -38.07 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.1 75.97 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -175.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.3 p -72.41 -31.67 39.24 Favored 'Isoleucine or valine' 0 C--N 1.34 0.158 0 CA-C-N 118.154 0.434 . . . . 0.0 110.316 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -83.01 -22.16 33.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 119.428 -0.32 . . . . 0.0 111.272 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.5 m -75.02 -39.06 61.33 Favored 'General case' 0 N--CA 1.458 -0.065 0 CA-C-N 118.741 0.701 . . . . 0.0 109.613 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.72 -28.2 60.69 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -81.39 -31.31 33.31 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.273 -0.267 . . . . 0.0 110.548 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -71.95 -22.76 61.41 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -74.33 -29.48 61.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.234 -0.291 . . . . 0.0 110.968 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.48 -26.33 60.86 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 122.041 -0.412 . . . . 0.0 111.434 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.338 0.077 0 CA-C-N 117.973 0.352 . . . . 0.0 111.113 177.427 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 N--CA 1.456 -0.138 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -66.43 -15.16 63.11 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 121.968 -0.457 . . . . 0.0 111.361 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -77.95 -43.61 29.29 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.882 -0.511 . . . . 0.0 110.772 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -83.75 -24.46 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 122.272 0.229 . . . . 0.0 110.691 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.0 tp -78.9 -29.23 44.2 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.314 -0.241 . . . . 0.0 110.688 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 t -77.04 -37.97 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-O 119.557 -0.258 . . . . 0.0 110.866 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.94 -22.93 59.48 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.225 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -70.95 -31.55 68.16 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.8 t -73.27 -28.7 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -71.99 -15.21 62.05 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 117.895 0.316 . . . . 0.0 110.922 176.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -84.48 4.85 29.89 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.853 0.461 . . . . 0.0 111.163 173.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.52 8.13 64.35 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.647 -0.529 . . . . 0.0 113.104 176.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -79.93 109.06 14.01 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.264 1.032 . . . . 0.0 109.972 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -80.33 -26.37 38.77 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 122.238 -0.289 . . . . 0.0 110.63 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.602 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.3 mmpt? -71.84 -31.13 66.19 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 121.933 -0.479 . . . . 0.0 109.768 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -28.98 68.65 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -74.85 -31.03 61.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -64.33 -36.07 82.92 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.907 -0.496 . . . . 0.0 110.317 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.13 -25.28 59.67 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.3 tp -75.1 -30.05 60.79 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.0 t -71.52 -44.46 70.78 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.7 -23.75 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 O-C-N 122.19 -0.318 . . . . 0.0 110.49 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -73.66 -36.44 65.36 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.696 0.398 . . . . 0.0 111.855 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -114.6 -1.45 13.35 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -58.96 -30.68 68.08 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 119.263 0.938 . . . . 0.0 112.709 -174.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -87.12 -25.73 23.98 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 118.358 0.527 . . . . 0.0 111.023 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -82.69 -33.38 27.67 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.405 0.282 . . . . 0.0 110.508 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -80.85 -29.8 11.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.07 -27.65 65.82 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.7 m -78.29 -22.27 48.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.27 0.228 . . . . 0.0 110.595 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -81.5 -45.77 15.48 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 119.405 -0.331 . . . . 0.0 111.535 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 m -78.05 -21.32 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.066 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.136 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -62.28 -15.87 50.28 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 117.761 0.255 . . . . 0.0 110.641 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -79.04 -9.02 59.42 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.247 0.619 . . . . 0.0 111.035 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CE2' HG22 ' A' ' 79' ' ' VAL . 61.4 m-85 -126.91 -19.69 4.38 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.1 m -133.24 153.63 80.75 Favored Pre-proline 0 N--CA 1.461 0.092 0 CA-C-N 118.386 0.539 . . . . 0.0 110.767 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.33 161.33 46.32 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 123.308 2.672 . . . . 0.0 109.899 177.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.0 p -59.3 -18.34 36.91 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.21 -14.94 81.82 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.611 -0.549 . . . . 0.0 112.556 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -118.89 -5.97 10.56 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.045 0.923 . . . . 0.0 111.866 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.415 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.4 t -57.36 -50.98 85.1 Favored Pre-proline 0 CA--C 1.53 0.181 0 CA-C-O 118.411 -0.804 . . . . 0.0 111.745 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.4 Cg_endo -66.72 -22.25 50.37 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 121.53 1.486 . . . . 0.0 111.693 -175.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -84.39 -31.89 24.46 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 117.97 0.35 . . . . 0.0 110.646 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.3 t -82.46 -28.3 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 C-N-CA 122.48 0.312 . . . . 0.0 110.404 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.6 t -73.01 -35.44 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -74.88 -20.4 59.75 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 110.518 -0.178 . . . . 0.0 110.518 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -85.09 -20.45 30.34 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.728 -0.607 . . . . 0.0 110.078 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.41 -35.25 25.19 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.184 -0.322 . . . . 0.0 111.48 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -80.42 -32.21 37.45 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 118.372 0.533 . . . . 0.0 111.169 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.55 -30.92 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 O-C-N 121.677 -0.639 . . . . 0.0 109.483 -178.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -72.28 -32.81 66.95 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.05 -33.27 61.71 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.509 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -62.12 -39.54 92.9 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 118.262 0.483 . . . . 0.0 111.234 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -92.54 -6.1 50.35 Favored 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.72 -8.18 16.16 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tt -73.26 -17.77 61.29 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 123.206 0.602 . . . . 0.0 110.953 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.2 -8.5 50.41 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 122.014 -0.429 . . . . 0.0 110.686 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.4 m -114.59 3.29 14.79 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.705 0.802 . . . . 0.0 111.468 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -69.07 119.96 14.18 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -99.97 -6.6 26.33 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -174.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.51 28.77 46.57 Favored Glycine 0 CA--C 1.526 0.729 0 CA-C-O 119.761 -0.466 . . . . 0.0 113.209 171.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -70.66 -6.97 40.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 117.867 0.833 . . . . 0.0 111.135 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.8 t -157.36 174.22 15.75 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.676 0.79 . . . . 0.0 109.18 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.69 154.62 14.21 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -63.23 -33.91 76.52 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -173.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -73.41 -22.23 60.29 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 120.094 -0.642 . . . . 0.0 111.235 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.3 m -67.45 -35.28 78.91 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.705 -0.622 . . . . 0.0 109.328 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -82.55 -27.26 31.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.438 0.695 . . . . 0.0 111.083 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -75.11 -41.66 58.07 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -61.8 -37.63 85.09 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.7 tpt85 -66.12 -38.99 89.57 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.771 0.828 . . . . 0.0 110.772 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.9 mt -77.74 -36.85 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.44 -36.47 73.97 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -175.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.426 HG22 ' CE2' ' A' ' 40' ' ' TYR . 8.0 p -78.05 -27.41 14.83 Favored 'Isoleucine or valine' 0 C--N 1.338 0.075 0 CA-C-N 118.064 0.393 . . . . 0.0 110.313 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -82.17 -20.58 37.59 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 122.414 -0.179 . . . . 0.0 110.548 178.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.6 m -82.65 -40.71 20.35 Favored 'General case' 0 N--CA 1.456 -0.133 0 O-C-N 121.811 -0.555 . . . . 0.0 110.335 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.56 -30.09 64.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.779 0.263 . . . . 0.0 111.564 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -83.0 -30.23 28.32 Favored 'General case' 0 N--CA 1.457 -0.119 0 O-C-N 122.264 -0.273 . . . . 0.0 110.939 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -74.23 -21.88 59.59 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -72.45 -32.98 66.72 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.729 0.412 . . . . 0.0 110.717 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.88 -30.1 66.38 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 122.196 -0.315 . . . . 0.0 111.611 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--N 1.339 0.142 0 CA-C-N 117.795 0.271 . . . . 0.0 111.613 179.419 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.8 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.149 0.499 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -65.11 -17.66 64.65 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 122.071 -0.393 . . . . 0.0 111.108 176.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -68.53 -42.82 77.91 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.925 -0.485 . . . . 0.0 110.746 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 p -84.31 -25.62 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 122.546 0.338 . . . . 0.0 110.679 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.6 tp -79.73 -29.99 40.75 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 119.744 -0.17 . . . . 0.0 110.733 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.8 t -75.14 -39.43 43.36 Favored 'Isoleucine or valine' 0 C--N 1.337 0.062 0 CA-C-N 118.146 0.43 . . . . 0.0 110.381 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.82 -21.61 60.94 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.856 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -72.92 -30.87 64.23 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 117.857 0.299 . . . . 0.0 110.524 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -73.83 -28.44 24.23 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -71.74 -15.68 62.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.939 -0.476 . . . . 0.0 111.164 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -84.57 4.46 32.02 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.75 0.42 . . . . 0.0 111.037 172.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.54 9.14 63.32 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.609 -0.55 . . . . 0.0 113.152 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -80.56 110.9 16.47 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 118.301 1.05 . . . . 0.0 109.887 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -80.27 -28.95 38.29 Favored 'General case' 0 N--CA 1.457 -0.111 0 O-C-N 122.309 -0.245 . . . . 0.0 110.502 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.592 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.8 mmpt? -71.17 -30.26 66.21 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.85 -28.48 68.38 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -76.05 -29.84 58.19 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 122.226 -0.296 . . . . 0.0 110.339 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -65.01 -35.86 82.54 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 122.045 -0.41 . . . . 0.0 110.333 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.25 -30.35 64.78 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.4 tp -70.71 -31.39 68.23 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.58 -42.61 83.59 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -65.46 -24.2 34.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 O-C-N 122.445 -0.159 . . . . 0.0 110.876 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -75.83 -31.4 59.35 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -115.01 -2.93 12.69 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -175.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -59.46 -31.31 69.2 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.467 1.031 . . . . 0.0 112.922 -173.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -87.16 -26.25 23.67 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.187 0.449 . . . . 0.0 110.917 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -81.69 -34.98 30.35 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.434 0.294 . . . . 0.0 110.451 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -79.14 -28.99 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.67 -26.55 65.37 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 m -79.29 -22.16 45.02 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.387 0.275 . . . . 0.0 110.326 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.7 tp -83.1 -44.63 14.92 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.533 0.333 . . . . 0.0 111.814 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.8 m -78.55 -20.15 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 119.939 -0.705 . . . . 0.0 111.433 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 t -61.29 -16.14 42.56 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.041 0.448 . . . . 0.0 110.844 175.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -79.38 -10.92 59.91 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.962 0.505 . . . . 0.0 111.519 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -126.94 -17.47 4.88 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -176.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.6 m -133.72 154.11 80.41 Favored Pre-proline 0 C--O 1.232 0.142 0 CA-C-N 118.379 0.536 . . . . 0.0 110.575 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.85 161.61 45.28 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.36 2.706 . . . . 0.0 109.666 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -59.29 -20.13 51.84 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 122.906 0.482 . . . . 0.0 112.288 -174.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.88 -15.04 81.12 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 119.389 -0.673 . . . . 0.0 112.696 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -118.58 -5.67 10.72 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.049 0.924 . . . . 0.0 112.057 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.59 -51.87 77.85 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.955 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.94 -22.75 47.97 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 121.677 1.585 . . . . 0.0 112.05 -174.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.44 -32.84 23.85 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 118.046 0.384 . . . . 0.0 110.77 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.8 t -81.02 -29.26 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 122.492 0.317 . . . . 0.0 110.318 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 37.9 t -71.02 -39.16 74.5 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -72.41 -26.1 61.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.522 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -78.98 -23.67 44.33 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.66 -29.02 45.49 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.263 0.225 . . . . 0.0 111.168 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -83.02 -34.91 26.18 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 117.951 0.341 . . . . 0.0 110.982 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.08 -27.74 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 118.565 0.62 . . . . 0.0 109.97 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -74.83 -32.71 62.01 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.17 -34.44 63.8 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -61.41 -37.99 85.46 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 122.081 -0.387 . . . . 0.0 111.63 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -89.8 -9.39 49.38 Favored 'General case' 0 C--N 1.335 -0.059 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.57 -6.64 14.83 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.8 tt -74.16 -19.13 60.66 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 123.149 0.58 . . . . 0.0 111.115 -177.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -71.18 -7.43 46.66 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 122.216 -0.303 . . . . 0.0 110.682 176.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -114.89 8.47 15.95 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.925 0.89 . . . . 0.0 111.017 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -66.07 131.39 46.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -99.44 -19.88 16.73 Favored 'General case' 0 N--CA 1.46 0.048 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -175.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.5 21.27 75.47 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -69.0 -7.58 36.78 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 117.435 0.618 . . . . 0.0 111.007 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.46 ' HG ' HG21 ' A' ' 72' ' ' THR . 40.2 t -156.49 171.85 19.56 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.308 1.043 . . . . 0.0 109.061 177.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.16 154.23 16.48 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -63.37 -35.1 79.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.872 -0.518 . . . . 0.0 112.041 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -73.26 -21.76 60.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.553 0.615 . . . . 0.0 111.282 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.46 HG21 ' HG ' ' A' ' 68' ' ' SER . 34.6 m -72.46 -31.07 65.14 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.921 -0.487 . . . . 0.0 109.768 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -82.07 -30.14 31.48 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.905 0.482 . . . . 0.0 110.217 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 tt -73.47 -39.83 64.6 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -63.14 -38.54 91.59 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.53 0.732 . . . . 0.0 109.716 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -68.23 -37.09 80.46 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.807 0.843 . . . . 0.0 110.66 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.1 mt -77.06 -35.62 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.24 76.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.228 0.467 . . . . 0.0 111.842 -175.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.6 p -73.92 -32.86 35.06 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 CA-C-N 118.136 0.426 . . . . 0.0 110.137 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -81.52 -16.78 50.72 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 119.569 -0.253 . . . . 0.0 111.371 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.7 m -84.99 -38.89 18.71 Favored 'General case' 0 N--CA 1.458 -0.048 0 CA-C-N 118.392 0.542 . . . . 0.0 109.902 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.42 -28.97 62.28 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 122.334 -0.229 . . . . 0.0 111.163 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -83.07 -30.76 27.74 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.987 0.358 . . . . 0.0 110.762 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -72.24 -22.45 61.24 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -73.9 -31.48 63.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.88 -0.513 . . . . 0.0 110.466 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.06 -22.99 63.99 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.986 -0.446 . . . . 0.0 111.785 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.461 0.105 0 CA-C-N 117.922 0.328 . . . . 0.0 111.759 178.247 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.5 p . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 121.229 0.538 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.47 -15.39 37.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.732 0.413 . . . . 0.0 112.11 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -68.65 -47.57 66.24 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.211 0.46 . . . . 0.0 110.879 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.1 p -83.48 -25.1 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 O-C-N 122.443 -0.16 . . . . 0.0 110.587 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.0 tp -72.68 -28.45 62.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.0 t -78.02 -30.75 16.29 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.38 -30.25 68.2 Favored 'General case' 0 C--N 1.339 0.116 0 O-C-N 121.724 -0.61 . . . . 0.0 110.275 174.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -76.66 -30.75 56.93 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 111.655 0.242 . . . . 0.0 111.655 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.8 t -75.85 -35.78 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.057 0 O-C-N 121.993 -0.442 . . . . 0.0 111.28 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -75.19 -15.29 60.57 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.493 0.588 . . . . 0.0 111.123 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -77.5 1.62 18.78 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.668 0.387 . . . . 0.0 111.408 170.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.67 5.45 53.85 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.347 -0.696 . . . . 0.0 113.785 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -81.7 110.89 17.46 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.666 1.233 . . . . 0.0 110.03 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.9 tm0? -80.58 -26.82 37.67 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 122.373 -0.204 . . . . 0.0 110.936 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.0 mmpt? -73.71 -31.11 63.23 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 122.006 -0.434 . . . . 0.0 109.956 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.66 -27.01 67.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -75.97 -31.85 59.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -62.93 -35.62 80.71 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 121.915 -0.49 . . . . 0.0 110.205 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.09 -31.26 65.91 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.8 tp -71.45 -31.34 67.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.2 t -70.14 -41.17 78.94 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.4 t -66.12 -24.42 33.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 118.012 0.369 . . . . 0.0 110.613 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -74.67 -32.48 62.23 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 117.936 0.335 . . . . 0.0 111.59 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -115.38 -3.64 12.42 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -58.51 -32.92 69.27 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.602 1.092 . . . . 0.0 112.893 -173.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -87.18 -24.94 24.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.49 0.586 . . . . 0.0 111.101 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -81.5 -35.45 30.4 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.542 0.337 . . . . 0.0 110.217 -177.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.3 p -79.09 -30.56 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.29 -29.26 68.0 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.165 -0.334 . . . . 0.0 110.367 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.1 m -78.71 -22.37 46.75 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.287 -0.258 . . . . 0.0 110.76 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.7 tp -81.71 -44.66 16.78 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.253 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.1 m -76.76 -21.32 14.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.728 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -62.1 -16.01 49.35 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.349 0.26 . . . . 0.0 110.834 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -82.73 -6.57 59.47 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 122.154 -0.341 . . . . 0.0 111.551 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -126.91 -14.76 5.53 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.3 m -136.01 154.99 77.97 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 118.838 0.745 . . . . 0.0 111.301 176.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -59.27 157.06 32.04 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.486 2.791 . . . . 0.0 111.015 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.0 p -63.24 -18.29 63.38 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.52 -11.94 84.77 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-O 119.398 -0.668 . . . . 0.0 112.038 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -117.3 -5.76 11.3 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.109 0.954 . . . . 0.0 111.886 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.406 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 49.5 t -57.78 -51.53 81.08 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.932 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 59.5 Cg_endo -66.11 -23.38 53.27 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 121.396 1.397 . . . . 0.0 112.313 -174.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -83.32 -31.99 26.55 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.235 0.47 . . . . 0.0 110.513 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.0 t -81.99 -27.08 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 122.44 0.296 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.95 -36.42 51.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.89 -21.68 60.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 117.78 0.264 . . . . 0.0 110.731 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -84.79 -21.39 29.95 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.758 -0.589 . . . . 0.0 110.32 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.04 -35.04 29.18 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.316 0.246 . . . . 0.0 111.277 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -80.02 -33.53 39.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 118.089 0.404 . . . . 0.0 110.999 177.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.71 -29.47 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 O-C-N 121.932 -0.48 . . . . 0.0 109.855 -178.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -75.02 -32.03 61.51 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.5 -36.72 68.44 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 176.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -62.14 -36.45 81.84 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.038 0.381 . . . . 0.0 111.606 -177.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -89.75 -8.11 52.97 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.96 -3.25 13.39 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -75.13 -21.27 58.95 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.279 0.632 . . . . 0.0 111.363 -177.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -70.74 -10.49 59.57 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 122.145 -0.347 . . . . 0.0 110.124 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.7 m -110.19 12.0 23.49 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.004 0.921 . . . . 0.0 111.065 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -66.6 135.05 53.55 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -99.56 -18.21 17.48 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 122.728 0.411 . . . . 0.0 111.856 -174.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.29 19.08 79.89 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -69.01 -9.57 53.13 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.043 0.537 . . . . 0.0 111.144 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.1 t -157.94 173.71 16.35 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.663 0.785 . . . . 0.0 109.314 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.03 155.12 11.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -64.34 -31.82 73.18 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -172.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -75.65 -22.23 56.95 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.645 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.9 m -66.65 -33.97 76.84 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -81.69 -34.74 30.48 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.705 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.5 -34.99 72.96 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -63.56 -41.46 98.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.103 0.561 . . . . 0.0 110.289 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -68.36 -36.83 79.79 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 117.741 0.246 . . . . 0.0 110.579 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.7 mt -71.54 -36.18 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.48 -39.58 77.58 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 117.946 0.339 . . . . 0.0 111.868 -175.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.62 -33.26 31.5 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.096 0 CA-C-N 118.412 0.551 . . . . 0.0 110.372 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -80.22 -16.91 53.72 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.458 -0.151 . . . . 0.0 111.056 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.3 m -82.94 -40.28 20.31 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 174.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.55 -30.47 61.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 122.216 -0.303 . . . . 0.0 110.953 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -80.63 -32.42 36.28 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.096 -0.377 . . . . 0.0 110.947 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -76.24 -17.08 59.66 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.24 -0.288 . . . . 0.0 110.26 177.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -75.03 -32.05 61.49 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.371 0.268 . . . . 0.0 110.7 175.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.81 -33.81 68.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.205 -0.31 . . . . 0.0 111.383 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 CA--C 1.523 -0.068 0 CA-C-N 117.556 0.162 . . . . 0.0 110.864 -179.138 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.4 p . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.729 0.3 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -61.21 -14.86 28.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 121.789 -0.569 . . . . 0.0 111.65 178.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -69.8 -44.68 69.54 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 118.291 0.496 . . . . 0.0 110.901 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 m -83.83 -23.65 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.467 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.8 tp -74.28 -30.08 61.94 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.4 t -76.16 -35.47 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.087 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -72.46 -25.23 61.36 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.159 -0.338 . . . . 0.0 110.388 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -75.27 -29.99 60.32 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.658 0.383 . . . . 0.0 110.626 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.03 -28.52 21.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 175.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -72.59 -15.87 61.74 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.223 -0.298 . . . . 0.0 110.529 176.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -83.63 4.0 30.36 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.778 0.431 . . . . 0.0 111.096 172.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.21 7.16 64.13 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 119.453 -0.637 . . . . 0.0 113.063 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -79.42 108.83 13.23 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 118.088 0.944 . . . . 0.0 110.153 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -80.18 -27.51 38.9 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.604 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -71.29 -30.77 66.65 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -28.58 68.37 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -74.22 -30.21 62.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.255 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -64.89 -36.57 84.78 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.181 -0.324 . . . . 0.0 110.29 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.22 -25.08 60.6 Favored 'General case' 0 C--O 1.232 0.157 0 O-C-N 122.09 -0.381 . . . . 0.0 110.466 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.1 tp -75.72 -28.45 58.56 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -73.29 -44.36 55.31 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.119 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.0 t -64.71 -23.8 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-N 117.795 0.27 . . . . 0.0 110.63 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -73.15 -37.71 66.5 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.102 0.561 . . . . 0.0 111.657 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -114.43 -0.82 13.65 Favored 'General case' 0 CA--C 1.527 0.08 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -175.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -58.82 -33.77 70.77 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.551 1.069 . . . . 0.0 112.788 -174.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -86.18 -24.24 26.21 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.46 0.573 . . . . 0.0 111.08 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -83.72 -34.17 24.95 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.211 0.205 . . . . 0.0 110.628 -177.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.89 -29.25 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.01 76.7 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 122.23 -0.293 . . . . 0.0 110.555 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.2 m -72.95 -22.08 60.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 117.545 0.157 . . . . 0.0 110.92 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.9 tp -81.26 -42.84 20.07 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 119.384 -0.341 . . . . 0.0 111.566 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.3 m -81.47 -18.65 11.47 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 CA-C-N 118.822 0.737 . . . . 0.0 111.552 -177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -60.73 -15.85 33.62 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 118.026 0.375 . . . . 0.0 110.746 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -80.23 -11.14 59.76 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 123.03 0.532 . . . . 0.0 111.318 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -126.94 -15.73 5.29 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -174.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.75 155.24 79.58 Favored Pre-proline 0 C--O 1.231 0.1 0 CA-C-N 119.095 0.862 . . . . 0.0 111.439 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.91 156.54 38.04 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 123.473 2.782 . . . . 0.0 110.967 174.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.1 t -59.94 -20.98 60.48 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.393 0.277 . . . . 0.0 111.714 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.42 -12.94 84.07 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 119.403 -0.665 . . . . 0.0 112.418 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -117.86 -3.89 11.16 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.145 0.972 . . . . 0.0 112.106 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.4 t -58.35 -52.06 77.34 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.444 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -67.77 -22.39 43.34 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 121.569 1.513 . . . . 0.0 111.929 -175.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -83.17 -33.11 26.27 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 117.956 0.344 . . . . 0.0 110.726 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.8 t -82.08 -29.14 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 122.66 0.384 . . . . 0.0 110.617 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 t -69.56 -38.05 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -72.34 -30.31 64.62 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.173 -178.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -75.54 -21.74 57.66 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 122.077 -0.389 . . . . 0.0 110.25 176.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.8 -29.79 35.98 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 119.493 -0.289 . . . . 0.0 111.39 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -83.56 -35.27 24.89 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 118.244 0.474 . . . . 0.0 111.135 177.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.51 -29.53 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 118.639 0.654 . . . . 0.0 109.739 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -74.5 -37.19 63.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.598 174.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.6 -32.68 74.44 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -64.89 -38.4 90.86 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 121.935 -0.478 . . . . 0.0 111.175 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -91.79 -5.39 53.58 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.89 -12.38 14.58 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 117.986 0.357 . . . . 0.0 111.378 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 tt -74.97 -19.7 59.98 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.593 0.757 . . . . 0.0 111.155 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -71.78 -8.09 52.14 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.8 t -114.88 2.74 14.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.864 0.865 . . . . 0.0 110.748 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -65.57 130.69 44.18 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 83.1 mtm-85 -99.63 -15.71 18.48 Favored 'General case' 0 C--N 1.338 0.072 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -174.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.2 22.08 71.82 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -69.27 -8.09 42.83 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.596 0.759 . . . . 0.0 111.168 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.417 ' HG ' HG22 ' A' ' 72' ' ' THR . 45.8 t -156.79 173.4 17.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.112 0.965 . . . . 0.0 109.21 176.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.92 153.29 17.66 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.25 -34.85 78.56 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.862 -0.524 . . . . 0.0 111.893 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -73.52 -23.31 59.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.488 0.585 . . . . 0.0 111.417 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.417 HG22 ' HG ' ' A' ' 68' ' ' SER . 22.2 m -66.84 -35.27 79.67 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -82.0 -32.79 30.4 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.371 0.669 . . . . 0.0 110.934 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.73 -38.83 73.59 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -61.84 -38.56 88.68 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.029 0.532 . . . . 0.0 109.635 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -69.84 -32.87 71.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 119.596 -0.24 . . . . 0.0 111.381 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.7 mt -77.27 -36.93 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 CA-C-N 118.138 0.427 . . . . 0.0 110.168 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.65 -36.08 70.57 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 117.994 0.361 . . . . 0.0 111.775 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.0 p -76.07 -34.13 26.1 Favored 'Isoleucine or valine' 0 C--N 1.338 0.07 0 CA-C-N 118.133 0.424 . . . . 0.0 110.602 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.42 -17.13 43.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.2 m -87.14 -38.27 16.59 Favored 'General case' 0 C--N 1.335 -0.051 0 CA-C-N 118.571 0.623 . . . . 0.0 110.085 175.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.17 -28.44 64.25 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 122.054 -0.404 . . . . 0.0 111.024 177.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -83.64 -31.05 26.41 Favored 'General case' 0 C--O 1.232 0.184 0 O-C-N 122.097 -0.377 . . . . 0.0 110.923 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -72.37 -21.19 61.33 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 176.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -72.84 -33.65 66.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.069 -0.394 . . . . 0.0 110.654 176.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.79 -29.58 66.92 Favored 'General case' 0 N--CA 1.456 -0.138 0 O-C-N 122.185 -0.322 . . . . 0.0 111.83 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.458 -0.067 0 CA-C-N 118.085 0.402 . . . . 0.0 111.27 179.005 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 C--O 1.232 0.18 0 CA-C-O 121.053 0.454 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -65.66 -16.74 64.03 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 122.035 -0.415 . . . . 0.0 111.36 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -72.33 -42.92 64.84 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.906 -0.496 . . . . 0.0 111.003 -177.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.0 p -83.36 -24.4 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.7 tp -80.3 -30.43 38.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 122.343 -0.223 . . . . 0.0 110.465 -177.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.51 -39.18 40.32 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.056 0 O-C-N 122.214 -0.303 . . . . 0.0 110.805 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.9 -23.96 60.78 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.807 0.73 . . . . 0.0 110.598 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -72.95 -29.65 63.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 122.083 -0.386 . . . . 0.0 110.323 177.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.37 -26.02 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 O-C-N 122.128 -0.358 . . . . 0.0 110.18 174.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -71.13 -15.86 62.52 Favored 'General case' 0 C--N 1.34 0.173 0 O-C-N 121.98 -0.45 . . . . 0.0 110.332 175.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -82.79 3.59 28.8 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.665 0.386 . . . . 0.0 111.09 171.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.01 11.31 73.48 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.921 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -78.6 117.1 19.45 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 118.159 0.98 . . . . 0.0 110.628 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.441 HE21 ' HA ' ' A' ' 19' ' ' GLN . 3.0 mm-40 -80.0 -21.77 43.24 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.657 0.383 . . . . 0.0 111.986 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -76.17 -29.86 57.88 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.97 -30.74 65.58 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.328 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -80.62 -35.78 33.58 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.596 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -61.46 -34.63 75.78 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 122.001 -0.437 . . . . 0.0 110.384 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mp -76.86 -28.25 55.37 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.377 0.271 . . . . 0.0 110.528 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.6 tp -73.73 -28.61 61.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.576 0.35 . . . . 0.0 110.114 175.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -72.68 -46.07 55.41 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.24 -23.69 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 117.884 0.311 . . . . 0.0 110.437 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -73.7 -36.36 65.25 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.565 0.346 . . . . 0.0 111.654 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -115.03 0.26 13.6 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -175.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -60.98 -30.34 70.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 119.536 1.062 . . . . 0.0 113.135 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -82.93 -29.44 29.14 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.534 0.607 . . . . 0.0 110.445 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.668 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 8.2 tmtt? -72.25 -46.14 57.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.42 0.688 . . . . 0.0 110.943 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.38 -31.36 38.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.167 -177.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.73 -27.46 65.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 117.885 0.312 . . . . 0.0 110.389 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.7 m -80.46 -22.21 41.3 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.564 0.346 . . . . 0.0 110.356 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.0 tp -85.26 -42.22 14.85 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.832 0.453 . . . . 0.0 111.33 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 m -79.04 -21.29 12.69 Favored 'Isoleucine or valine' 0 C--N 1.338 0.094 0 CA-C-N 118.653 0.66 . . . . 0.0 110.543 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -60.84 -15.88 35.16 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 122.223 -0.298 . . . . 0.0 110.771 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -80.0 -10.94 59.81 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 122.807 0.443 . . . . 0.0 111.501 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -127.07 -14.34 5.52 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -176.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -137.77 153.6 74.05 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-N 118.388 0.54 . . . . 0.0 110.657 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.81 161.97 43.88 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.648 2.899 . . . . 0.0 110.157 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.2 p -60.14 -18.02 44.63 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 123.183 0.593 . . . . 0.0 112.551 -175.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.02 -15.85 81.1 Favored Glycine 0 CA--C 1.528 0.866 0 CA-C-O 119.575 -0.569 . . . . 0.0 112.508 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -118.73 -5.91 10.64 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 117.911 0.855 . . . . 0.0 111.982 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.413 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 53.8 t -56.99 -50.71 86.65 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.792 179.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.4 Cg_endo -67.44 -22.02 45.91 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 121.566 1.511 . . . . 0.0 111.876 -175.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.59 -33.79 23.29 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 122.113 -0.367 . . . . 0.0 110.624 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 78.6 t -80.13 -30.48 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.692 0.397 . . . . 0.0 110.162 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.6 t -70.3 -37.04 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -71.56 -28.41 63.83 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 121.126 -0.229 . . . . 0.0 110.748 -177.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -80.4 -27.73 38.02 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 117.878 0.308 . . . . 0.0 110.409 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.67 -32.3 72.03 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.054 -0.404 . . . . 0.0 111.046 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -84.56 -34.93 23.13 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 117.964 0.347 . . . . 0.0 111.351 176.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -74.36 -28.81 23.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 O-C-N 121.593 -0.692 . . . . 0.0 110.184 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -73.45 -34.21 65.28 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.47 -32.89 64.57 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 176.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -62.34 -40.61 96.93 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 118.395 0.543 . . . . 0.0 111.557 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -90.27 -7.08 54.34 Favored 'General case' 0 C--O 1.23 0.076 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.93 -7.51 18.13 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 175.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 tt -75.61 -18.88 59.57 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.446 0.698 . . . . 0.0 110.46 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.77 -8.47 56.13 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.481 0.313 . . . . 0.0 110.308 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.1 m -114.92 8.07 15.81 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.085 0.954 . . . . 0.0 111.168 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -68.4 130.54 43.2 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.1 mtm-85 -99.29 -16.11 18.6 Favored 'General case' 0 C--O 1.231 0.091 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -175.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.64 21.68 74.21 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -65.77 -10.37 36.72 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.995 0.518 . . . . 0.0 110.743 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.0 t -156.32 174.86 14.79 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.605 1.162 . . . . 0.0 108.528 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.97 154.54 18.68 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -62.87 -32.49 73.74 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.104 -0.373 . . . . 0.0 111.746 -175.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.668 ' CZ ' ' HE3' ' A' ' 32' ' ' LYS . 62.3 t80 -68.81 -28.99 67.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 122.104 -0.372 . . . . 0.0 110.903 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.2 m -67.45 -34.87 78.07 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -82.64 -31.79 28.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.442 0.697 . . . . 0.0 111.276 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -38.98 72.3 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -66.57 -39.61 88.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.9 tpp85 -69.22 -31.8 70.62 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 123.172 0.589 . . . . 0.0 111.475 -176.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.8 mt -76.53 -36.09 27.42 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.114 0 CA-C-N 117.983 0.356 . . . . 0.0 110.091 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.81 -39.64 83.96 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.123 0.42 . . . . 0.0 111.844 -175.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.3 p -73.98 -32.81 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 117.855 0.298 . . . . 0.0 110.452 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -83.04 -17.55 42.89 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 119.382 -0.342 . . . . 0.0 111.74 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.4 m -82.0 -38.87 24.42 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 118.819 0.736 . . . . 0.0 109.794 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.9 -28.31 62.4 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 122.359 -0.213 . . . . 0.0 110.844 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -83.01 -31.35 27.51 Favored 'General case' 0 C--O 1.231 0.09 0 O-C-N 122.197 -0.314 . . . . 0.0 110.867 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -74.53 -19.48 60.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -73.55 -33.48 64.72 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.102 -0.374 . . . . 0.0 110.769 175.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.5 mt -71.29 -26.85 63.04 Favored 'General case' 0 CA--C 1.528 0.121 0 O-C-N 122.063 -0.398 . . . . 0.0 111.595 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.227 -0.112 0 CA-C-N 118.189 0.45 . . . . 0.0 111.24 176.545 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.334 0.587 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.6 -16.88 58.74 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.884 0.474 . . . . 0.0 111.979 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -66.42 -45.41 80.0 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 121.747 -0.596 . . . . 0.0 110.737 -177.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 p -84.01 -25.54 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 CA-C-N 116.92 -0.127 . . . . 0.0 110.878 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.0 tp -78.55 -29.57 46.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.463 -0.148 . . . . 0.0 110.851 -178.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.2 t -75.0 -40.2 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 O-C-N 122.107 -0.37 . . . . 0.0 110.379 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.74 -21.52 61.01 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.788 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -71.89 -31.76 66.74 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 117.835 0.289 . . . . 0.0 110.327 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -73.61 -28.01 24.15 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.027 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 175.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -71.7 -15.36 62.2 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 121.986 -0.446 . . . . 0.0 110.834 176.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -85.64 3.77 39.38 Favored 'General case' 0 C--N 1.339 0.121 0 C-N-CA 122.926 0.49 . . . . 0.0 111.127 173.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.87 7.96 62.3 Favored Glycine 0 C--N 1.339 0.746 0 C-N-CA 123.538 0.59 . . . . 0.0 112.859 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -79.66 110.03 14.62 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.328 1.064 . . . . 0.0 109.927 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -80.12 -27.89 39.07 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 122.448 -0.157 . . . . 0.0 110.683 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.607 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -71.5 -31.2 66.82 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.44 -28.63 68.75 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.63 -30.71 61.74 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -65.14 -34.59 78.76 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 121.989 -0.445 . . . . 0.0 110.37 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.51 -26.03 57.75 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.26 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.5 tp -76.36 -31.03 57.84 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.2 t -68.2 -48.66 72.8 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.09 -23.89 29.44 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 CA-C-N 117.825 0.284 . . . . 0.0 110.619 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -69.66 -30.94 68.74 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.39 0.276 . . . . 0.0 111.025 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -114.48 -0.32 13.77 Favored 'General case' 0 C--O 1.227 -0.115 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -58.35 -39.71 80.24 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.608 0.64 . . . . 0.0 112.147 -173.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -83.1 -23.15 33.18 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 122.028 -0.42 . . . . 0.0 110.888 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -84.97 -32.62 22.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.46 0.171 . . . . 0.0 110.873 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.0 p -80.43 -28.33 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.77 -27.31 64.82 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.4 m -78.3 -21.44 49.69 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.886 0.474 . . . . 0.0 110.904 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -84.28 -44.46 13.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 119.35 -0.357 . . . . 0.0 111.781 177.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 m -79.01 -22.17 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-N 118.824 0.738 . . . . 0.0 111.697 -176.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.2 p -62.13 -15.44 45.75 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.043 0.383 . . . . 0.0 111.111 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -78.7 -9.42 59.41 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.471 0.708 . . . . 0.0 111.277 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CE2' HG22 ' A' ' 79' ' ' VAL . 52.2 m-85 -126.94 -16.64 5.08 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -177.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.7 m -135.11 153.11 78.14 Favored Pre-proline 0 C--N 1.34 0.163 0 CA-C-N 118.295 0.498 . . . . 0.0 110.425 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -70.26 161.43 46.01 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.294 2.663 . . . . 0.0 109.698 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.6 m -59.28 -16.05 19.34 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.316 0.646 . . . . 0.0 112.695 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.55 -14.98 81.54 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.516 -0.602 . . . . 0.0 112.464 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -118.69 -6.48 10.63 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 117.865 0.833 . . . . 0.0 112.098 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.405 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 57.4 t -56.09 -51.02 83.97 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-O 118.283 -0.865 . . . . 0.0 112.162 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 65.3 Cg_endo -67.8 -21.81 44.01 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.586 1.524 . . . . 0.0 112.13 -174.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -85.76 -30.93 22.67 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.1 0.409 . . . . 0.0 110.674 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.4 t -81.76 -29.97 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.4 t -70.94 -38.24 71.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -72.79 -27.58 62.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.252 -177.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -78.31 -23.04 47.27 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 122.05 -0.406 . . . . 0.0 110.384 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.32 -28.08 42.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 119.478 -0.296 . . . . 0.0 111.488 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -84.37 -33.39 23.82 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 118.133 0.424 . . . . 0.0 110.979 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.45 -27.55 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 CA-C-N 118.762 0.71 . . . . 0.0 109.714 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -72.98 -34.98 66.79 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 173.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.54 -38.01 74.12 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -61.76 -38.85 89.54 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.029 0.377 . . . . 0.0 111.692 -177.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -87.9 -5.19 58.7 Favored 'General case' 0 C--N 1.339 0.12 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -177.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.62 -4.36 10.78 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 tt -74.17 -19.75 60.45 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.672 -0.642 . . . . 0.0 111.174 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -74.65 -5.41 42.92 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.16 -0.337 . . . . 0.0 110.814 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.2 m -114.66 6.19 15.61 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.159 0.984 . . . . 0.0 110.951 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -66.92 130.31 42.73 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -99.55 -17.15 18.0 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.67 22.65 69.1 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -66.44 -10.58 45.49 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.28 0.632 . . . . 0.0 110.648 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.0 t -156.38 172.79 17.89 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.298 1.039 . . . . 0.0 109.03 176.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.07 154.66 12.35 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.32 -33.06 74.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.824 -0.547 . . . . 0.0 112.041 -173.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -70.67 -22.59 62.46 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.816 0.735 . . . . 0.0 111.054 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.7 m -69.95 -35.03 74.18 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -82.46 -27.85 31.63 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.96 0.504 . . . . 0.0 110.93 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.14 -42.55 55.92 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.43 -40.06 89.68 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -65.07 -38.15 89.86 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.929 0.892 . . . . 0.0 110.995 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.4 mt -78.81 -35.81 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.84 -36.45 72.88 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 117.897 0.317 . . . . 0.0 111.714 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.407 HG22 ' CE2' ' A' ' 40' ' ' TYR . 10.4 p -77.42 -27.74 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 CA-C-N 118.129 0.422 . . . . 0.0 110.527 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -80.77 -28.8 36.28 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.4 m -76.17 -39.31 55.2 Favored 'General case' 0 N--CA 1.457 -0.086 0 O-C-N 121.957 -0.465 . . . . 0.0 110.32 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.55 -30.15 64.18 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 117.814 0.279 . . . . 0.0 110.964 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -82.46 -29.9 30.32 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.388 -0.195 . . . . 0.0 110.634 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -72.96 -22.82 60.64 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -71.99 -34.04 68.59 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.992 -0.443 . . . . 0.0 110.437 177.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.96 -27.92 66.16 Favored 'General case' 0 CA--C 1.527 0.094 0 O-C-N 122.22 -0.3 . . . . 0.0 111.495 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.462 0.138 0 CA-C-N 117.93 0.332 . . . . 0.0 111.53 177.74 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.6 p . . . . . 0 C--O 1.231 0.1 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.92 -16.95 62.67 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.192 -0.318 . . . . 0.0 111.04 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -75.95 -45.34 35.47 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 122.071 -0.393 . . . . 0.0 110.62 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.8 p -84.37 -26.16 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-N 118.007 0.367 . . . . 0.0 110.836 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.0 tp -73.02 -27.99 62.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.1 t -76.7 -36.48 27.09 Favored 'Isoleucine or valine' 0 C--N 1.338 0.092 0 CA-C-O 119.373 -0.346 . . . . 0.0 110.222 175.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -66.17 -30.13 70.54 Favored 'General case' 0 C--N 1.338 0.096 0 CA-C-N 118.659 0.663 . . . . 0.0 110.125 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -72.34 -31.28 65.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.09 0.156 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.72 -29.18 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 118.041 0.382 . . . . 0.0 110.025 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -72.15 -15.3 61.97 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 117.9 0.318 . . . . 0.0 110.931 176.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -83.91 3.84 32.19 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.823 0.449 . . . . 0.0 111.232 172.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.36 9.02 65.57 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.593 -0.559 . . . . 0.0 112.973 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -78.93 111.98 15.65 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 118.035 0.917 . . . . 0.0 109.889 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -80.22 -28.22 38.63 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.7 mmpt? -71.72 -28.51 63.73 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 -27.92 65.59 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.37 -33.41 37.23 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.449 -0.157 . . . . 0.0 110.884 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -64.73 -34.32 78.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mp -75.33 -28.41 59.61 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.763 0.425 . . . . 0.0 110.017 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 tp -72.45 -30.22 64.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.84 0.456 . . . . 0.0 110.091 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.0 -46.41 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.25 -23.66 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 117.607 0.185 . . . . 0.0 110.512 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -73.37 -36.32 66.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.781 0.432 . . . . 0.0 111.775 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -114.81 0.21 13.73 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -175.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -60.66 -29.42 69.28 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 119.229 0.922 . . . . 0.0 113.28 -174.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -86.04 -26.69 25.23 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.59 0.632 . . . . 0.0 110.408 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.739 ' HE2' ' CZ ' ' A' ' 71' ' ' TYR . 2.2 tmtm? -73.8 -43.91 57.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.768 0.827 . . . . 0.0 110.813 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.1 -31.62 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.982 -177.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.61 -28.43 67.73 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 117.992 0.36 . . . . 0.0 110.358 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.3 m -79.86 -22.19 43.21 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 122.641 0.376 . . . . 0.0 110.867 178.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 tp -83.9 -40.42 18.61 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.49 0.316 . . . . 0.0 111.581 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 m -80.86 -22.29 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 118.526 0.603 . . . . 0.0 111.16 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.2 m -60.88 -15.71 33.65 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 118.161 0.437 . . . . 0.0 111.127 175.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -79.76 -10.53 59.8 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.338 0.655 . . . . 0.0 111.306 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -126.72 -18.28 4.79 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.2 m -133.1 153.69 80.95 Favored Pre-proline 0 CA--C 1.528 0.114 0 CA-C-N 118.476 0.58 . . . . 0.0 110.621 177.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -70.41 160.96 47.75 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.586 2.857 . . . . 0.0 109.776 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.3 p -58.99 -17.98 29.94 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -174.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.19 -14.85 81.9 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-O 119.321 -0.71 . . . . 0.0 112.54 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -118.73 -7.52 10.5 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.23 1.015 . . . . 0.0 112.29 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.406 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 79.6 t -55.72 -51.49 79.83 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-O 118.305 -0.855 . . . . 0.0 111.926 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.0 Cg_endo -66.14 -24.57 51.59 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 121.386 1.391 . . . . 0.0 112.242 -174.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -85.27 -31.2 23.23 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.979 -0.45 . . . . 0.0 110.997 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.1 t -78.67 -29.18 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.5 t -71.44 -33.69 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -72.85 -27.98 62.26 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 119.737 -0.173 . . . . 0.0 111.021 -176.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -82.06 -26.82 33.36 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.389 0.54 . . . . 0.0 110.145 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.96 -34.63 76.94 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.988 -0.445 . . . . 0.0 111.129 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -84.58 -35.13 22.99 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.991 -0.443 . . . . 0.0 111.393 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.13 -30.08 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 118.62 0.646 . . . . 0.0 110.121 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HA ' ' HE ' ' A' ' 59' ' ' ARG . 56.4 tptt -73.17 -33.4 65.42 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.27 -32.13 64.48 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 119.618 -0.23 . . . . 0.0 110.487 176.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -64.98 -38.13 89.95 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.37 0.532 . . . . 0.0 111.404 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.4 ' HE ' ' HA ' ' A' ' 56' ' ' LYS . 25.3 ptt180 -91.93 -5.5 53.05 Favored 'General case' 0 C--N 1.338 0.105 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.34 -7.97 15.15 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.1 tt -74.76 -20.02 59.98 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.118 0.567 . . . . 0.0 110.872 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.45 -8.0 54.07 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.0 m -114.58 9.87 16.68 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.241 1.017 . . . . 0.0 110.839 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -67.37 131.89 46.61 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.0 mtm-85 -99.4 -16.83 18.26 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -174.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.21 19.5 79.64 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.713 -0.555 . . . . 0.0 111.713 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -66.17 -11.62 50.67 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.316 0.646 . . . . 0.0 110.809 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.442 ' HG ' HG22 ' A' ' 72' ' ' THR . 45.1 t -155.93 173.72 16.37 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.492 1.117 . . . . 0.0 108.946 177.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.72 154.61 21.14 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.64 -34.33 76.84 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 122.077 -0.389 . . . . 0.0 111.641 -175.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.739 ' CZ ' ' HE2' ' A' ' 32' ' ' LYS . 56.9 t80 -68.03 -31.38 71.02 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 117.594 0.179 . . . . 0.0 110.996 -177.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.442 HG22 ' HG ' ' A' ' 68' ' ' SER . 18.1 m -65.99 -34.7 78.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -82.03 -33.45 29.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.379 0.672 . . . . 0.0 110.748 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.92 -36.24 79.83 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -65.09 -42.99 93.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.613 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -65.67 -36.44 83.65 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.031 0.378 . . . . 0.0 111.896 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.8 mt -71.68 -34.76 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.134 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.87 -40.38 69.0 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 118.052 0.387 . . . . 0.0 111.946 -175.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.78 -31.23 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.052 0 CA-C-N 118.161 0.437 . . . . 0.0 110.156 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -83.01 -22.94 33.48 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.25 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.4 m -74.06 -39.58 63.4 Favored 'General case' 0 N--CA 1.458 -0.062 0 CA-C-N 118.795 0.725 . . . . 0.0 109.353 175.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.04 -29.49 60.79 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 122.055 0.142 . . . . 0.0 111.079 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -82.34 -31.71 29.69 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 122.012 -0.43 . . . . 0.0 110.789 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -73.85 -21.27 60.17 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 175.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -72.1 -31.38 66.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 119.712 -0.185 . . . . 0.0 110.96 176.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.24 -34.33 65.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 118.314 0.507 . . . . 0.0 111.735 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.461 0.103 0 CA-C-N 118.088 0.404 . . . . 0.0 110.839 177.51 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.4 p . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -62.45 -17.27 59.05 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 122.124 -0.36 . . . . 0.0 111.682 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -75.55 -47.12 28.2 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.033 -0.417 . . . . 0.0 110.763 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.11 -28.17 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-N 117.636 0.198 . . . . 0.0 110.82 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp -70.32 -27.9 64.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.7 t -78.22 -36.83 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 O-C-N 122.321 -0.237 . . . . 0.0 110.461 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -67.05 -27.47 67.42 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 118.555 0.616 . . . . 0.0 110.147 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.5 ttm-85 -74.22 -31.9 62.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.04 0.536 . . . . 0.0 110.724 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.9 t -76.2 -29.02 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 175.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -70.9 -15.29 62.6 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.988 -0.445 . . . . 0.0 110.293 174.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -82.43 -0.66 47.2 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.221 0.608 . . . . 0.0 110.8 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.17 6.64 62.93 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 119.605 -0.553 . . . . 0.0 112.735 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -78.23 109.85 12.72 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.067 0.933 . . . . 0.0 109.701 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -80.34 -28.38 38.12 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.483 -0.136 . . . . 0.0 110.738 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.598 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -71.28 -30.79 66.71 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.11 68.77 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -74.19 -30.47 62.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.213 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -64.94 -36.43 84.36 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 122.07 -0.394 . . . . 0.0 110.379 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.3 -26.79 62.09 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.5 tp -75.75 -29.44 58.85 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.671 0.388 . . . . 0.0 110.057 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -72.51 -45.66 58.29 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.44 -23.63 33.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -75.82 -33.25 60.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 122.864 0.465 . . . . 0.0 111.976 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -114.76 -2.3 13.02 Favored 'General case' 0 C--N 1.337 0.056 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -60.27 -29.61 68.91 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.409 1.004 . . . . 0.0 112.703 -173.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -85.53 -28.51 24.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.521 0.6 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -80.46 -36.05 34.05 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.371 0.268 . . . . 0.0 110.68 -177.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.8 p -78.11 -29.95 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.61 -27.47 66.06 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.4 m -78.58 -22.24 47.43 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.185 0.194 . . . . 0.0 110.529 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.3 tp -84.16 -45.29 13.12 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.573 0.349 . . . . 0.0 111.587 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.3 m -76.39 -20.88 15.11 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.846 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.6 t -61.28 -16.03 41.35 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.094 -0.378 . . . . 0.0 110.76 176.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -79.41 -9.07 59.52 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.937 0.495 . . . . 0.0 111.607 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -126.93 -13.3 5.79 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -177.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -138.05 154.88 74.58 Favored Pre-proline 0 CA--C 1.529 0.142 0 CA-C-N 118.663 0.665 . . . . 0.0 111.251 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -58.88 156.43 33.27 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.654 2.902 . . . . 0.0 111.025 173.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.0 p -62.43 -17.68 59.93 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.15 -12.7 84.09 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.521 -0.6 . . . . 0.0 112.155 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -118.38 -4.27 10.9 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.077 0.939 . . . . 0.0 112.134 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.423 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 48.8 t -58.39 -50.16 89.59 Favored Pre-proline 0 C--N 1.34 0.183 0 CA-C-O 118.255 -0.879 . . . . 0.0 112.074 178.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 59.0 Cg_endo -66.37 -22.47 52.55 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.316 1.344 . . . . 0.0 112.032 -174.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -84.23 -32.03 24.7 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 118.112 0.415 . . . . 0.0 110.791 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.8 t -80.95 -27.96 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.2 t -72.52 -35.89 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -72.83 -21.7 60.92 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 117.754 0.252 . . . . 0.0 110.436 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -83.78 -20.74 32.77 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 121.702 -0.624 . . . . 0.0 110.206 175.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.95 -34.02 26.6 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 119.552 -0.261 . . . . 0.0 111.513 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -81.56 -31.99 32.41 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.098 0.408 . . . . 0.0 110.959 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.53 -30.17 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -73.32 -31.72 64.16 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.5 -31.76 60.3 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 119.481 -0.295 . . . . 0.0 110.679 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -63.77 -39.8 95.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.486 0.585 . . . . 0.0 111.409 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -92.09 -5.48 52.71 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.17 -4.52 16.48 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.0 tt -79.01 -17.39 55.44 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 122.898 0.479 . . . . 0.0 111.051 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -70.52 -11.36 60.87 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.072 -0.393 . . . . 0.0 111.232 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.5 p -114.99 8.43 15.81 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.459 0.703 . . . . 0.0 111.274 177.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -67.27 130.24 42.46 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.2 mtm-85 -99.41 -16.03 18.54 Favored 'General case' 0 CA--C 1.527 0.061 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -174.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.58 23.49 62.4 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.82 -9.4 44.15 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.104 0.562 . . . . 0.0 111.211 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.426 ' HG ' HG22 ' A' ' 72' ' ' THR . 44.1 t -157.21 172.91 17.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.09 0.956 . . . . 0.0 109.068 178.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.87 151.86 20.67 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 175.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.85 -33.5 75.4 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -172.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -75.17 -19.25 59.94 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 119.771 -0.772 . . . . 0.0 111.474 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.426 HG22 ' HG ' ' A' ' 68' ' ' SER . 23.7 m -70.04 -33.89 72.56 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -82.1 -32.17 30.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.375 0.67 . . . . 0.0 110.294 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.04 -36.9 69.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -63.41 -40.94 98.56 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.619 0.368 . . . . 0.0 110.176 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -67.13 -36.59 82.21 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.2 mt -74.31 -35.33 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.62 -40.39 80.38 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.054 0.388 . . . . 0.0 111.876 -175.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.93 -35.32 42.05 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-N 118.293 0.497 . . . . 0.0 110.296 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -78.67 -16.71 56.97 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 119.469 -0.3 . . . . 0.0 110.992 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 51.0 m -83.44 -38.24 22.14 Favored 'General case' 0 C--O 1.228 -0.043 0 CA-C-N 118.514 0.597 . . . . 0.0 109.794 174.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.54 -30.85 63.33 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -79.28 -26.61 42.31 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 122.145 -0.347 . . . . 0.0 110.957 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -74.33 -21.89 59.5 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -76.12 -26.69 56.61 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.976 -0.453 . . . . 0.0 110.627 176.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.64 -19.7 48.5 Favored 'General case' 0 CA--C 1.527 0.094 0 O-C-N 121.792 -0.567 . . . . 0.0 112.155 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 C--O 1.228 -0.042 0 CA-C-N 117.909 0.322 . . . . 0.0 111.098 177.376 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.6 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.016 0.436 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -65.03 -15.09 61.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.246 -0.284 . . . . 0.0 111.746 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -75.71 -44.88 39.81 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.789 -0.569 . . . . 0.0 110.74 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.8 p -82.46 -25.52 8.8 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.052 0 C-N-CA 122.235 0.214 . . . . 0.0 110.569 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.4 tp -77.75 -29.07 50.85 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 122.289 -0.257 . . . . 0.0 110.848 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.45 -39.57 27.79 Favored 'Isoleucine or valine' 0 C--N 1.339 0.128 0 O-C-N 122.148 -0.345 . . . . 0.0 110.51 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.19 -22.59 61.25 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 118.882 0.765 . . . . 0.0 110.466 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -72.51 -31.56 65.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 122.298 -0.251 . . . . 0.0 110.605 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.6 t -73.51 -29.38 27.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -71.66 -15.3 62.22 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.946 -0.472 . . . . 0.0 110.901 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -88.03 6.96 33.57 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.451 0.7 . . . . 0.0 111.163 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.17 7.52 63.86 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 119.574 -0.57 . . . . 0.0 113.193 174.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -81.9 107.27 14.48 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.288 1.044 . . . . 0.0 110.154 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -80.39 -25.56 39.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 122.502 -0.124 . . . . 0.0 110.857 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.605 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -71.88 -32.4 67.41 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.009 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.18 -29.02 69.8 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 176.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -75.71 -31.39 59.64 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.371 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -65.07 -33.36 75.84 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.052 -0.405 . . . . 0.0 110.658 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.2 -27.13 56.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.5 tp -75.25 -30.72 60.59 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.475 0.31 . . . . 0.0 110.288 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.09 -49.46 67.59 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.8 t -67.77 -23.78 29.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -69.69 -31.11 68.96 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.61 0.364 . . . . 0.0 111.375 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -114.73 -0.24 13.63 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -58.45 -38.44 77.53 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.651 0.659 . . . . 0.0 112.2 -173.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -82.75 -23.89 33.76 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 117.966 0.348 . . . . 0.0 111.042 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' HE2' ' CZ ' ' A' ' 71' ' ' TYR . 80.5 tttt -85.18 -34.01 22.17 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.342 0.257 . . . . 0.0 110.798 -176.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -79.69 -28.52 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.51 64.52 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.9 t -76.33 -26.24 55.56 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.1 tp -82.8 -44.33 15.65 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.891 0.477 . . . . 0.0 112.025 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -79.01 -18.76 13.03 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 118.959 0.799 . . . . 0.0 111.176 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -61.97 -16.07 48.45 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.179 -0.325 . . . . 0.0 110.391 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -78.14 -11.86 59.95 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.352 0.661 . . . . 0.0 111.532 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -127.05 -13.42 5.7 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -175.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.3 m -138.13 154.67 74.27 Favored Pre-proline 0 N--CA 1.462 0.143 0 CA-C-N 118.826 0.739 . . . . 0.0 111.551 176.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.53 156.61 35.68 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.633 2.889 . . . . 0.0 111.018 173.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -61.15 -20.31 62.55 Favored 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 122.172 0.189 . . . . 0.0 111.423 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.65 -13.0 83.95 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-O 119.311 -0.716 . . . . 0.0 112.079 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -117.49 -5.23 11.23 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.292 1.046 . . . . 0.0 111.783 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.406 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 45.8 t -57.53 -51.02 84.81 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 118.426 -0.797 . . . . 0.0 112.193 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.1 Cg_endo -66.8 -23.69 47.78 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.481 1.454 . . . . 0.0 112.31 -173.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -87.17 -26.0 23.78 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 118.277 0.489 . . . . 0.0 111.122 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.5 t -84.13 -27.53 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.5 t -73.76 -39.76 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -72.55 -32.16 65.85 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.112 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.61 -25.46 63.05 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.4 -28.9 52.85 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.136 -0.353 . . . . 0.0 111.113 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -84.62 -34.75 23.05 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.144 0.429 . . . . 0.0 111.239 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.34 -29.85 40.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 CA-C-N 118.829 0.74 . . . . 0.0 109.52 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -75.13 -31.4 61.08 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 176.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.93 -31.15 61.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.59 -38.66 91.78 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.156 0.434 . . . . 0.0 111.383 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -88.03 -10.25 50.87 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.03 -9.58 15.07 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.2 tt -72.49 -19.41 61.55 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.88 0.472 . . . . 0.0 110.483 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.24 -9.11 58.36 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.711 0.291 . . . . 0.0 110.399 174.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -114.65 7.47 16.0 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.99 0.916 . . . . 0.0 111.087 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -68.0 130.83 44.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -99.22 -14.57 19.24 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -174.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.13 20.93 78.91 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -69.8 -7.72 42.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.057 0.543 . . . . 0.0 111.43 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.428 ' HG ' HG22 ' A' ' 72' ' ' THR . 42.8 t -157.9 172.45 18.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.097 0.959 . . . . 0.0 109.377 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.35 154.47 13.53 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.006 0.523 . . . . 0.0 109.819 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.31 -31.65 72.9 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.414 ' CZ ' ' HE2' ' A' ' 32' ' ' LYS . 73.5 t80 -73.62 -25.81 60.49 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.628 0.649 . . . . 0.0 111.005 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.428 HG22 ' HG ' ' A' ' 68' ' ' SER . 20.6 m -67.16 -34.34 77.34 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -81.65 -32.97 31.63 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.607 0.363 . . . . 0.0 110.459 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.1 -34.19 70.88 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -65.84 -40.39 91.72 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.22 -35.06 78.79 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 117.819 0.281 . . . . 0.0 110.674 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -73.56 -36.51 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.83 -41.26 75.21 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.12 0.418 . . . . 0.0 111.938 -174.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.8 p -74.29 -31.91 30.05 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-N 118.124 0.42 . . . . 0.0 110.489 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -82.86 -16.77 46.31 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 119.418 -0.325 . . . . 0.0 111.329 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.3 m -84.29 -37.81 21.21 Favored 'General case' 0 CA--C 1.527 0.065 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 173.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.41 -29.2 59.69 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -84.52 -34.29 23.33 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 117.98 0.355 . . . . 0.0 110.96 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -73.38 -18.49 61.16 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -70.07 -44.48 69.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.719 -0.613 . . . . 0.0 109.887 172.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.2 -23.89 66.9 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.456 -0.148 0 O-C-N 122.196 -0.315 . . . . 0.0 111.125 -178.91 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.2 p . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.927 0.394 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -63.09 -14.83 53.17 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 121.804 -0.56 . . . . 0.0 111.307 -178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -67.31 -41.57 85.12 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 117.961 0.346 . . . . 0.0 110.446 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -83.88 -24.67 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 CA-C-N 118.081 0.401 . . . . 0.0 110.295 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.75 -29.0 58.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.3 t -75.26 -35.13 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -71.35 -28.6 64.17 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-N 118.105 0.411 . . . . 0.0 110.53 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -72.84 -29.11 62.96 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.246 0.219 . . . . 0.0 110.867 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.3 t -77.07 -28.0 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 O-C-N 122.095 -0.378 . . . . 0.0 110.141 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -72.07 -15.81 62.02 Favored 'General case' 0 CA--C 1.529 0.163 0 O-C-N 122.082 -0.386 . . . . 0.0 110.394 175.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -83.48 4.5 27.59 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.791 0.436 . . . . 0.0 111.115 172.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.1 9.57 67.38 Favored Glycine 0 CA--C 1.528 0.874 0 CA-C-O 119.589 -0.562 . . . . 0.0 113.075 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -78.07 114.45 16.96 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.301 1.051 . . . . 0.0 110.331 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.2 tp60 -80.13 -28.66 38.88 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.614 0.366 . . . . 0.0 111.031 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.8 mmpt? -75.72 -30.67 59.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.6 -30.14 70.82 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -76.23 -30.89 58.1 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.119 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -62.94 -35.59 80.63 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.817 0.28 . . . . 0.0 110.638 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.52 -30.46 64.5 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.8 tp -71.59 -30.37 65.75 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.02 -42.76 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.48 -23.87 34.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 CA-C-N 117.932 0.333 . . . . 0.0 110.97 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.99 -31.46 58.97 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 122.039 -0.413 . . . . 0.0 111.884 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -117.46 -0.02 12.04 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -175.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -59.94 -31.1 69.54 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 119.348 0.976 . . . . 0.0 113.24 -174.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -85.33 -27.56 25.82 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.31 0.505 . . . . 0.0 110.403 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.659 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 9.1 tmtt? -71.7 -46.01 60.09 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.373 0.669 . . . . 0.0 110.569 178.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.408 HG11 ' CE2' ' A' ' 54' ' ' PHE . 10.8 p -73.17 -31.39 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.186 -176.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.98 -29.43 68.46 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 122.074 -0.391 . . . . 0.0 110.819 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.6 m -80.12 -22.06 42.54 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.21 0.204 . . . . 0.0 110.696 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -84.11 -40.86 17.75 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 122.608 0.363 . . . . 0.0 111.572 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 m -80.87 -21.2 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.077 0 CA-C-N 118.568 0.622 . . . . 0.0 111.173 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.1 t -61.06 -15.87 37.32 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.682 0.277 . . . . 0.0 110.63 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -79.23 -11.48 59.96 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.335 0.654 . . . . 0.0 111.506 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -127.08 -15.43 5.29 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -175.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.8 m -136.42 154.36 76.89 Favored Pre-proline 0 N--CA 1.463 0.216 0 CA-C-N 118.346 0.521 . . . . 0.0 110.584 176.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -70.08 162.02 43.79 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.427 2.751 . . . . 0.0 110.097 176.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.0 p -60.34 -18.2 48.31 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.91 -15.09 81.59 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.485 -0.619 . . . . 0.0 112.436 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -118.56 -5.84 10.72 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 117.981 0.891 . . . . 0.0 112.149 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.8 t -56.59 -50.92 85.07 Favored Pre-proline 0 C--O 1.226 -0.176 0 CA-C-O 118.343 -0.837 . . . . 0.0 112.186 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -68.14 -22.93 40.21 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 121.444 1.429 . . . . 0.0 112.379 -174.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -87.0 -25.83 24.06 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 118.11 0.414 . . . . 0.0 111.038 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.9 t -84.53 -27.02 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.4 t -73.93 -39.74 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.45 -31.86 65.79 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.645 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -72.23 -24.71 61.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 122.224 -0.297 . . . . 0.0 110.391 176.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.01 -32.77 61.7 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 122.273 -0.267 . . . . 0.0 110.746 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CE2' HG11 ' A' ' 33' ' ' VAL . 39.8 m-85 -84.59 -35.86 22.47 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 117.772 0.26 . . . . 0.0 111.235 177.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -69.72 -29.52 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 118.937 0.789 . . . . 0.0 109.765 177.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -74.66 -31.63 61.99 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.272 0.487 . . . . 0.0 109.993 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.02 -33.11 63.65 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -63.3 -37.87 88.96 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.068 0.394 . . . . 0.0 111.403 -177.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -87.7 -12.01 46.6 Favored 'General case' 0 CA--C 1.527 0.059 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.14 -7.53 16.02 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 tt -75.13 -21.7 58.67 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.604 0.762 . . . . 0.0 110.385 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.55 -8.85 57.63 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 174.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.0 m -114.71 12.36 17.08 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.989 0.915 . . . . 0.0 110.956 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -66.66 132.25 47.73 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 mtt85 -99.53 -18.68 17.27 Favored 'General case' 0 C--N 1.337 0.054 0 C-N-CA 123.035 0.534 . . . . 0.0 112.118 -174.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.89 20.15 79.59 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.709 -0.556 . . . . 0.0 111.709 178.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.56 -10.26 54.64 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 117.272 0.536 . . . . 0.0 111.17 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.1 t -154.91 172.47 17.99 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.37 1.068 . . . . 0.0 108.754 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.52 152.85 17.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 176.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.24 -31.42 72.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -174.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.659 ' CZ ' ' HE3' ' A' ' 32' ' ' LYS . 69.6 t80 -71.16 -28.56 64.34 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 118.091 0.405 . . . . 0.0 110.991 -178.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.9 m -66.96 -34.36 77.6 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -82.41 -31.8 29.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.661 0.784 . . . . 0.0 111.025 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -38.35 72.43 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -67.32 -39.33 85.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -65.78 -35.42 80.65 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.512 0.725 . . . . 0.0 111.39 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.4 mt -75.98 -34.5 27.33 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.114 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.54 -40.78 85.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 118.046 0.384 . . . . 0.0 111.938 -175.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.8 p -74.02 -31.95 31.73 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.043 0 CA-C-N 117.889 0.313 . . . . 0.0 110.502 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -82.89 -17.88 42.22 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.46 -0.305 . . . . 0.0 111.722 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.4 m -82.31 -39.24 23.15 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 118.542 0.61 . . . . 0.0 109.895 176.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.58 -27.41 62.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 122.249 -0.282 . . . . 0.0 110.873 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -84.12 -31.14 25.4 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 122.288 -0.257 . . . . 0.0 110.677 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -72.81 -22.03 60.88 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -73.92 -32.41 63.52 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.057 -0.402 . . . . 0.0 110.713 175.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.37 -23.37 64.66 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.013 -0.429 . . . . 0.0 111.505 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 C--O 1.227 -0.109 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 178.796 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.3 p . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.01 -14.86 57.32 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 122.493 0.317 . . . . 0.0 111.3 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -71.53 -45.46 62.31 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.975 -0.453 . . . . 0.0 110.623 -177.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.8 -26.08 7.52 Favored 'Isoleucine or valine' 0 C--N 1.339 0.111 0 CA-C-N 117.935 0.334 . . . . 0.0 110.729 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 tp -71.85 -27.16 62.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.6 t -78.24 -36.95 21.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 O-C-N 122.09 -0.381 . . . . 0.0 110.152 175.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -67.8 -29.98 69.29 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.505 0.593 . . . . 0.0 110.197 176.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.4 ttm-85 -71.54 -32.31 68.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.112 0.165 . . . . 0.0 110.735 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.5 t -73.88 -28.05 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-N 117.987 0.358 . . . . 0.0 110.206 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -72.65 -15.47 61.71 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.019 0.372 . . . . 0.0 110.698 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -86.03 5.46 33.37 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.804 0.442 . . . . 0.0 111.248 173.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.08 8.29 69.1 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-O 119.618 -0.546 . . . . 0.0 112.868 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -77.54 103.77 7.67 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 117.948 0.874 . . . . 0.0 109.632 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -79.83 -25.74 40.69 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.513 0.197 . . . . 0.0 110.641 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.607 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.1 mmpt? -72.16 -30.8 65.36 Favored 'General case' 0 CA--C 1.52 -0.184 0 O-C-N 121.92 -0.487 . . . . 0.0 109.73 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.79 -29.0 67.27 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -73.21 -30.87 63.81 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -64.66 -36.37 84.03 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.869 -0.519 . . . . 0.0 110.214 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.59 -26.74 62.73 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 176.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.4 tp -77.31 -28.86 53.39 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.6 t -73.53 -44.57 53.48 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.89 -23.56 33.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -73.84 -35.35 64.79 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -114.78 0.11 13.71 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 -176.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -60.08 -30.33 69.16 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.384 0.993 . . . . 0.0 112.918 -174.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -84.27 -28.11 27.41 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 118.375 0.534 . . . . 0.0 110.687 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.671 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 8.6 tmtt? -72.33 -45.94 57.72 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.446 0.699 . . . . 0.0 110.608 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.4 p -73.27 -31.57 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.255 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.03 -27.29 66.41 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 117.982 0.355 . . . . 0.0 110.343 178.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.4 m -81.49 -20.98 39.0 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.932 0.493 . . . . 0.0 110.875 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -85.74 -41.7 14.88 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 119.342 -0.361 . . . . 0.0 111.29 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.8 m -80.82 -23.23 10.96 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 CA-C-N 118.529 0.604 . . . . 0.0 111.309 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 98.0 p -62.87 -15.7 55.81 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.129 0.422 . . . . 0.0 111.074 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -77.17 -10.3 59.32 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.082 0.553 . . . . 0.0 111.296 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -126.61 -19.51 4.55 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -176.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.41 153.3 81.57 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-N 118.454 0.57 . . . . 0.0 110.517 176.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.49 161.14 47.07 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.447 2.765 . . . . 0.0 109.843 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.4 p -60.16 -18.1 45.42 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.51 -15.2 81.37 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 119.289 -0.728 . . . . 0.0 112.319 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -118.65 -5.84 10.68 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 118.22 1.01 . . . . 0.0 112.445 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.403 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.3 t -57.52 -49.91 91.13 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-O 118.385 -0.817 . . . . 0.0 112.313 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 65.9 Cg_endo -67.88 -22.11 43.03 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 121.458 1.439 . . . . 0.0 112.015 -174.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -85.42 -31.29 22.95 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.18 0.445 . . . . 0.0 110.864 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.9 t -81.24 -28.95 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.8 t -72.4 -38.48 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -73.27 -26.8 61.24 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.44 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -80.4 -23.73 40.19 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 122.077 -0.389 . . . . 0.0 110.429 176.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.65 -33.59 62.55 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 122.24 -0.288 . . . . 0.0 111.418 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -83.12 -34.57 26.05 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 118.318 0.508 . . . . 0.0 111.068 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.19 -28.95 30.57 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 118.585 0.629 . . . . 0.0 109.792 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -74.4 -31.5 62.36 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.174 0.443 . . . . 0.0 110.03 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.28 -32.91 63.1 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -63.76 -36.77 84.95 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 117.925 0.33 . . . . 0.0 111.566 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -90.42 -9.32 47.96 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.22 -7.96 15.19 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 tt -73.7 -19.85 60.7 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 123.071 0.548 . . . . 0.0 110.683 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.68 -8.62 56.25 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.341 0.256 . . . . 0.0 110.324 174.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.4 m -114.6 9.23 16.52 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.872 0.869 . . . . 0.0 111.127 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -67.97 129.74 40.82 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -99.47 -14.76 18.95 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -174.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.22 21.08 76.49 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -67.8 -10.27 51.38 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.245 0.618 . . . . 0.0 110.999 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.455 ' HG ' HG22 ' A' ' 72' ' ' THR . 41.5 t -156.91 172.86 17.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.437 1.095 . . . . 0.0 108.886 178.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.48 152.77 20.95 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -64.5 -31.76 73.11 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 121.951 -0.468 . . . . 0.0 111.962 -174.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.671 ' CZ ' ' HE3' ' A' ' 32' ' ' LYS . 63.1 t80 -70.1 -29.67 66.69 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.3 0.5 . . . . 0.0 110.732 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.455 HG22 ' HG ' ' A' ' 68' ' ' SER . 20.6 m -65.76 -34.74 78.88 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -82.12 -32.33 30.21 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.003 0.521 . . . . 0.0 110.791 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.24 -34.16 72.52 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.68 -40.92 88.78 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 122.544 0.337 . . . . 0.0 110.17 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -64.79 -38.54 91.31 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 122.301 0.24 . . . . 0.0 111.425 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 48.5 mt -70.66 -36.93 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 118.081 0.4 . . . . 0.0 110.287 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.15 -38.81 69.11 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -175.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.7 p -77.37 -26.35 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.052 0 CA-C-N 118.302 0.501 . . . . 0.0 110.736 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -82.89 -29.23 29.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.0 m -71.44 -39.88 70.72 Favored 'General case' 0 C--N 1.34 0.178 0 O-C-N 121.757 -0.589 . . . . 0.0 110.216 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.06 -28.11 61.24 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.302 -0.249 . . . . 0.0 111.548 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -83.91 -31.46 25.64 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 122.06 -0.4 . . . . 0.0 110.754 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -71.57 -22.84 61.69 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 175.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -73.83 -28.55 61.67 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.05 -0.406 . . . . 0.0 110.603 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.5 mt -75.63 -22.06 57.16 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 121.64 -0.663 . . . . 0.0 112.424 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 CA--C 1.528 0.112 0 CA-C-N 118.394 0.543 . . . . 0.0 111.28 176.698 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.3 mtm . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 120.035 -0.031 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -149.56 162.91 39.23 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 122.844 0.458 . . . . 0.0 110.446 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -152.7 154.68 35.77 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.833 0.453 . . . . 0.0 110.003 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -131.86 154.59 49.02 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.756 0.823 . . . . 0.0 109.584 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.0 mp -87.85 56.03 3.72 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.051 0.453 . . . . 0.0 111.035 -175.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.9 p -70.56 172.44 8.54 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.34 -15.97 51.47 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.741 -0.599 . . . . 0.0 110.672 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -72.19 -37.78 69.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.971 -0.456 . . . . 0.0 110.886 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 m -83.43 -26.55 7.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 CA-C-N 118.187 0.449 . . . . 0.0 110.001 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.9 tp -80.38 -31.2 37.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.166 -175.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.9 t -75.87 -36.03 31.56 Favored 'Isoleucine or valine' 0 C--N 1.338 0.077 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -72.55 -26.47 61.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 122.138 -0.351 . . . . 0.0 110.283 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -73.7 -30.1 62.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.157 -0.339 . . . . 0.0 110.71 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -75.44 -28.39 20.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 CA-C-N 117.96 0.346 . . . . 0.0 110.421 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -72.35 -15.95 61.87 Favored 'General case' 0 CA--C 1.527 0.084 0 O-C-N 121.822 -0.549 . . . . 0.0 110.858 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -83.98 6.06 23.34 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.61 0.364 . . . . 0.0 111.38 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.57 7.64 64.77 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.65 -0.528 . . . . 0.0 113.289 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -80.19 111.25 16.38 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 118.308 1.054 . . . . 0.0 110.091 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -80.2 -29.46 38.6 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 122.301 -0.249 . . . . 0.0 110.953 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.608 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.5 mmpt? -69.97 -30.44 67.8 Favored 'General case' 0 N--CA 1.457 -0.111 0 O-C-N 122.065 -0.397 . . . . 0.0 109.953 -178.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.54 -29.92 70.11 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 176.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -74.38 -29.97 61.77 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.229 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -64.77 -35.78 82.17 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 122.097 -0.377 . . . . 0.0 110.641 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.86 -24.93 58.65 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.1 tp -75.28 -29.81 60.22 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -70.75 -45.05 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.83 -23.69 33.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 O-C-N 122.353 -0.217 . . . . 0.0 110.512 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -73.76 -35.89 65.06 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.847 0.459 . . . . 0.0 111.534 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -114.65 -2.61 13.03 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -175.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -58.95 -30.9 68.24 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 119.518 1.053 . . . . 0.0 112.849 -173.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -85.17 -29.03 25.09 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-N 118.089 0.404 . . . . 0.0 110.701 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -80.81 -33.62 34.63 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.987 0.515 . . . . 0.0 110.8 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.5 p -79.28 -28.84 13.48 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.13 -26.93 66.04 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.297 -0.252 . . . . 0.0 110.691 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.7 m -79.01 -21.99 46.14 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 122.899 0.48 . . . . 0.0 110.943 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -83.78 -44.25 14.58 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.3 m -78.78 -22.24 12.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-N 118.812 0.733 . . . . 0.0 111.654 -176.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 94.0 p -62.03 -14.9 40.21 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.086 0.403 . . . . 0.0 110.779 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -79.35 -9.39 59.58 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.258 0.623 . . . . 0.0 111.29 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -126.91 -14.7 5.54 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -177.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.7 m -136.31 153.34 76.35 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-N 118.418 0.554 . . . . 0.0 110.545 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.26 161.58 45.29 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.464 2.776 . . . . 0.0 109.955 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.2 t -58.61 -21.52 53.68 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.857 0.463 . . . . 0.0 112.154 -175.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.33 -14.2 80.95 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.426 -0.652 . . . . 0.0 112.715 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -118.34 -6.2 10.8 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 118.149 0.975 . . . . 0.0 112.16 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.1 t -57.29 -51.68 79.9 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-O 118.497 -0.763 . . . . 0.0 111.965 -179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -67.11 -22.55 47.15 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 121.372 1.381 . . . . 0.0 111.907 -174.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -84.66 -32.13 23.79 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.033 0.378 . . . . 0.0 110.784 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.7 t -80.76 -29.55 11.72 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 C-N-CA 122.519 0.328 . . . . 0.0 110.238 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.7 t -70.85 -38.44 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -72.59 -27.84 62.42 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -77.94 -24.19 48.3 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.195 -0.316 . . . . 0.0 110.404 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.35 -31.32 58.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 122.066 -0.396 . . . . 0.0 111.133 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -81.9 -32.44 30.94 Favored 'General case' 0 C--N 1.341 0.198 0 O-C-N 122.032 -0.418 . . . . 0.0 110.975 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.54 -30.44 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 O-C-N 121.695 -0.628 . . . . 0.0 110.227 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -73.4 -32.5 64.48 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.37 -29.66 57.27 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.76 -0.2 . . . . 0.0 110.556 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -62.6 -42.32 99.5 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 118.263 0.483 . . . . 0.0 111.143 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -92.07 -6.42 51.02 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.21 -7.2 16.06 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tt -72.31 -18.56 61.77 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.963 0.505 . . . . 0.0 110.445 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.77 -7.55 51.16 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.19 -0.319 . . . . 0.0 110.413 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -113.87 7.76 17.1 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.967 0.907 . . . . 0.0 110.748 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -69.25 131.32 44.7 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 -99.46 -14.49 19.08 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.64 21.06 77.72 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.554 -0.619 . . . . 0.0 111.554 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -68.37 -10.31 54.16 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.119 0.568 . . . . 0.0 111.367 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.9 t -157.55 174.12 15.85 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.207 1.003 . . . . 0.0 109.088 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.5 155.62 11.86 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 122.806 0.442 . . . . 0.0 110.013 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.24 -33.56 76.1 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -172.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -72.42 -25.18 61.38 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.959 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.1 m -65.54 -35.59 81.29 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -81.99 -33.6 30.07 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.254 0.622 . . . . 0.0 110.492 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -33.93 71.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -64.8 -42.22 95.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -68.06 -33.89 75.41 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-O 119.579 -0.248 . . . . 0.0 111.438 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.5 mt -74.99 -37.44 41.14 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.143 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.84 74.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.97 -34.69 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.173 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -78.39 -23.11 46.95 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 119.403 -0.332 . . . . 0.0 110.859 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.5 m -74.74 -38.66 62.2 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 118.755 0.707 . . . . 0.0 109.318 175.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.79 -31.06 61.63 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.368 -0.208 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -81.77 -28.01 33.47 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 122.136 -0.353 . . . . 0.0 111.295 178.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -73.54 -21.14 60.46 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 118.068 0.394 . . . . 0.0 110.193 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -75.86 -31.92 59.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.563 0.345 . . . . 0.0 111.062 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.71 -28.41 62.65 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.181 -0.324 . . . . 0.0 111.402 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.9 m -91.82 -15.58 8.22 Favored 'Isoleucine or valine' 0 C--N 1.337 0.046 0 CA-C-N 117.809 0.277 . . . . 0.0 111.509 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.42 -20.56 60.7 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.097 0.159 . . . . 0.0 110.595 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -108.29 -20.47 13.13 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.966 0.506 . . . . 0.0 111.284 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.94 -12.31 81.37 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -90.5 12.05 19.86 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.396 0.678 . . . . 0.0 112.037 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -61.96 -14.99 40.1 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.834 0.853 . . . . 0.0 111.908 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.6 pp -130.31 16.89 5.49 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.144 0.578 . . . . 0.0 111.503 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -119.09 0.88 11.35 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.469 0.708 . . . . 0.0 111.059 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.4 tp -127.85 -5.75 5.67 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.412 0.685 . . . . 0.0 111.053 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 117.319 -1.324 . . . . 0.0 110.47 -179.579 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 1 O4'-C1'-N19 111.917 5.146 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.843 1 O4'-C1'-N19 111.729 4.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.451 0 P-O3'-C3' 122.246 2.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.304 0 O4'-C4'-C3' 109.195 3.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 0 O4'-C1'-N19 110.068 2.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.341 1 O4'-C1'-N19 111.749 4.936 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.841 3.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.6 ttp . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -150.77 164.66 35.66 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 122.913 0.485 . . . . 0.0 110.279 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.63 5.66 30.85 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.007 0.523 . . . . 0.0 110.61 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -129.7 165.85 21.02 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.024 0.93 . . . . 0.0 109.868 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mp -80.92 79.91 7.5 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.8 p -77.1 178.0 7.37 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.588 0.755 . . . . 0.0 110.574 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.17 -14.95 28.87 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.587 0.355 . . . . 0.0 111.58 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -72.31 -43.38 64.27 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.779 -0.575 . . . . 0.0 110.747 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.1 m -84.47 -24.34 7.4 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 O-C-N 122.007 -0.433 . . . . 0.0 110.501 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.5 tp -77.07 -28.85 54.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.878 -0.146 . . . . 0.0 110.729 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.9 t -76.95 -36.68 25.68 Favored 'Isoleucine or valine' 0 C--O 1.23 0.074 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -70.94 -26.15 63.05 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 121.882 -0.511 . . . . 0.0 110.193 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -75.87 -28.05 58.01 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.604 0.361 . . . . 0.0 110.918 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.43 -28.89 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 CA-C-N 117.94 0.336 . . . . 0.0 110.188 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -70.96 -15.49 62.59 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.162 0.437 . . . . 0.0 109.99 174.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -78.44 -2.23 37.47 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.917 0.487 . . . . 0.0 110.63 173.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.05 10.04 63.04 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 123.357 0.503 . . . . 0.0 112.632 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -81.45 112.52 18.78 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.047 0.924 . . . . 0.0 110.503 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -80.08 -27.79 39.22 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.475 0.31 . . . . 0.0 110.913 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.8 mmpt? -66.6 -32.18 73.35 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.19 -28.82 62.41 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.768 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -75.45 -34.2 60.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.861 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -59.57 -37.51 78.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.1 -0.375 . . . . 0.0 110.772 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.62 -23.62 58.73 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.378 0.536 . . . . 0.0 110.359 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.6 tp -75.78 -28.8 58.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.6 t -72.12 -46.18 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.3 -23.39 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 117.811 0.278 . . . . 0.0 110.818 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -72.28 -38.85 68.71 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.018 0.527 . . . . 0.0 111.586 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -114.37 -1.19 13.58 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -174.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -58.75 -30.96 67.9 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 119.418 1.008 . . . . 0.0 112.96 -174.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -86.93 -27.19 23.5 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.549 0.613 . . . . 0.0 111.249 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -80.46 -34.75 35.71 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.33 0.252 . . . . 0.0 110.412 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 p -79.56 -29.07 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.37 -25.23 64.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.177 -0.327 . . . . 0.0 110.341 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.7 m -79.45 -21.85 44.93 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.937 0.495 . . . . 0.0 110.267 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 tp -84.86 -45.63 12.09 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.9 m -77.19 -22.24 14.47 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.04 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.543 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.8 p -62.24 -14.57 39.71 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.772 0.26 . . . . 0.0 110.954 177.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -78.4 -9.82 59.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.319 0.648 . . . . 0.0 111.332 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -126.74 -14.67 5.63 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.63 152.93 75.46 Favored Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 118.37 0.532 . . . . 0.0 110.599 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -69.94 160.41 49.75 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.466 2.778 . . . . 0.0 109.797 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.5 m -59.2 -15.25 13.96 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.573 0.749 . . . . 0.0 112.828 -175.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.4 -15.14 80.5 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-O 119.394 -0.67 . . . . 0.0 112.491 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -118.73 -4.76 10.71 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 117.962 0.881 . . . . 0.0 112.144 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.409 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 56.1 t -57.45 -50.19 89.57 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.333 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.9 Cg_endo -67.16 -22.03 47.64 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 121.491 1.46 . . . . 0.0 111.982 -174.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -84.5 -31.77 24.31 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 118.15 0.432 . . . . 0.0 110.694 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 73.7 t -80.88 -29.62 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 C-N-CA 122.357 0.263 . . . . 0.0 110.374 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.7 t -72.2 -38.12 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 176.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -73.25 -27.06 61.37 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.311 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -78.53 -24.14 45.87 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.123 -0.36 . . . . 0.0 110.286 176.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.69 -30.5 56.74 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 122.263 -0.273 . . . . 0.0 111.302 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -82.55 -34.92 27.65 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 118.06 0.391 . . . . 0.0 110.922 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.64 -28.48 27.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 118.516 0.598 . . . . 0.0 110.095 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -75.31 -31.63 60.72 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.31 -32.9 64.88 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.65 -40.14 96.12 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.214 0.461 . . . . 0.0 111.527 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -85.61 -9.95 56.53 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.36 -7.44 14.8 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 tt -73.59 -19.99 60.73 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 122.653 0.381 . . . . 0.0 110.746 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.38 -8.54 55.55 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.084 -0.385 . . . . 0.0 110.2 174.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 m -114.85 6.08 15.35 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.043 0.937 . . . . 0.0 111.082 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -68.04 131.3 45.2 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -99.41 -17.45 17.97 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.94 22.72 68.18 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.87 -9.33 43.81 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.148 0.579 . . . . 0.0 110.716 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.0 t -156.53 173.19 17.28 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.212 1.005 . . . . 0.0 108.834 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.69 154.51 11.53 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -62.65 -34.38 76.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 121.815 -0.553 . . . . 0.0 112.36 -172.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -75.62 -19.6 59.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 119.961 -0.696 . . . . 0.0 111.752 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.8 m -69.23 -34.64 75.14 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 76.0 t90 -82.3 -29.03 31.37 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.166 0.586 . . . . 0.0 110.751 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.44 -40.19 62.11 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -62.44 -37.73 87.0 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -68.5 -36.93 79.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.684 0.794 . . . . 0.0 111.059 -177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.4 mt -77.42 -37.01 24.49 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.148 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.76 82.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -175.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.444 HG23 ' HE2' ' A' ' 83' ' ' LYS . 9.0 p -72.86 -36.54 52.29 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.885 177.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -76.64 -18.3 58.67 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 119.432 -0.318 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.4 m -79.78 -38.59 32.77 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 118.73 0.695 . . . . 0.0 109.496 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.07 -31.49 62.86 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.295 -0.253 . . . . 0.0 110.731 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' HE2' HG23 ' A' ' 79' ' ' VAL . 47.8 mtmt -76.45 -30.81 57.5 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 121.834 -0.541 . . . . 0.0 110.746 176.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -71.73 -22.43 61.62 Favored 'General case' 0 CA--C 1.527 0.078 0 CA-C-N 118.022 0.374 . . . . 0.0 110.107 176.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -76.02 -26.53 56.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.346 0.258 . . . . 0.0 110.897 177.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.4 mt -81.2 -21.21 39.78 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.665 -0.647 . . . . 0.0 112.192 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.9 m -96.22 -15.99 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.076 0 CA-C-N 118.054 0.388 . . . . 0.0 111.229 178.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.96 -25.5 43.49 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 122.279 0.232 . . . . 0.0 110.729 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -104.91 -14.92 15.3 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.033 0.533 . . . . 0.0 110.802 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.01 -15.62 76.83 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-O 119.968 -0.351 . . . . 0.0 112.225 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -95.95 -0.75 50.36 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 117.195 0.498 . . . . 0.0 112.122 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -80.54 -3.31 49.72 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 122.652 0.381 . . . . 0.0 111.858 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.3 pp -139.55 16.8 2.54 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.948 0.499 . . . . 0.0 111.464 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -130.17 -7.88 4.32 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.282 0.633 . . . . 0.0 111.108 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 45.0 tp -79.26 -11.86 59.95 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.861 0.465 . . . . 0.0 110.82 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 116.978 -1.487 . . . . 0.0 110.841 -179.038 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.714 1 O4'-C1'-N19 113.062 6.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.328 1 O4'-C1'-N19 111.031 4.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.629 0 O4'-C1'-N19 110.555 3.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 0 O4'-C4'-C3' 108.979 3.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.177 0 O4'-C1'-N19 109.922 2.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.503 1 O4'-C1'-N19 111.121 4.151 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.199 1 O4'-C1'-N19 111.574 4.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 120.294 0.092 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 57.63 -176.32 0.07 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.825 0.85 . . . . 0.0 112.16 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 53.43 21.42 2.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.354 1.061 . . . . 0.0 112.864 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -146.28 145.74 30.48 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.954 0.501 . . . . 0.0 109.945 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mp -88.79 82.84 6.71 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p -73.4 175.96 6.47 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.396 0.678 . . . . 0.0 110.483 178.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.75 -14.81 35.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.132 -0.355 . . . . 0.0 111.702 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -73.67 -44.94 55.36 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.703 -0.623 . . . . 0.0 110.489 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.8 m -84.17 -23.24 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-N 117.804 0.274 . . . . 0.0 110.692 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.6 tp -77.7 -28.6 51.0 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.9 t -76.04 -38.24 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -66.37 -29.04 69.13 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -79.16 -30.12 43.39 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.333 0.253 . . . . 0.0 111.353 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.9 t -76.28 -37.78 32.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-N 118.162 0.437 . . . . 0.0 111.291 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -76.07 -15.17 60.16 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.31 0.504 . . . . 0.0 111.291 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -79.3 2.84 19.96 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.777 0.431 . . . . 0.0 111.641 170.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.23 5.62 40.13 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-O 119.03 -0.872 . . . . 0.0 114.827 171.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -85.38 109.84 18.71 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.945 1.372 . . . . 0.0 110.344 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -80.24 -29.18 38.4 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 121.947 -0.471 . . . . 0.0 111.115 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.575 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.8 mmpt? -71.27 -30.99 66.96 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.89 -26.93 67.85 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -75.67 -31.07 59.6 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.49 -35.28 79.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 122.135 -0.353 . . . . 0.0 110.335 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.22 -26.22 60.12 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 122.239 -0.288 . . . . 0.0 110.325 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.7 tp -75.24 -28.24 59.79 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.425 0.29 . . . . 0.0 110.242 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.8 t -72.35 -45.41 60.62 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.3 t -64.62 -23.7 33.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 O-C-N 122.202 -0.311 . . . . 0.0 110.685 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -72.58 -37.71 68.09 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.264 0.625 . . . . 0.0 111.903 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -114.68 -1.4 13.32 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -175.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -58.85 -32.16 69.18 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 119.338 0.972 . . . . 0.0 113.044 -173.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -86.74 -26.69 24.07 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.024 0.375 . . . . 0.0 111.01 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -81.54 -33.27 31.86 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.558 0.343 . . . . 0.0 110.609 -177.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.8 p -79.8 -29.33 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.77 -28.57 66.91 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.083 -0.385 . . . . 0.0 110.854 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.5 m -78.33 -22.32 48.26 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.205 0.202 . . . . 0.0 110.689 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.5 tp -82.24 -43.84 17.09 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-O 119.39 -0.338 . . . . 0.0 111.686 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.2 m -78.41 -20.24 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.05 0 CA-C-N 118.75 0.705 . . . . 0.0 111.186 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.5 t -61.69 -16.14 46.4 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.714 0.292 . . . . 0.0 110.528 176.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -78.88 -12.35 60.03 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.081 0.552 . . . . 0.0 111.448 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.94 -13.37 5.77 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.42 154.59 77.05 Favored Pre-proline 0 N--CA 1.463 0.21 0 CA-C-N 118.709 0.686 . . . . 0.0 111.2 176.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -58.85 156.27 33.97 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.628 2.885 . . . . 0.0 111.011 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.3 p -62.24 -17.94 59.79 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.58 -13.14 83.52 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 119.595 -0.558 . . . . 0.0 112.149 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -117.0 -4.49 11.5 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.044 0.922 . . . . 0.0 111.839 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.403 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 46.6 t -58.24 -51.19 83.62 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-O 118.281 -0.866 . . . . 0.0 112.002 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 59.9 Cg_endo -66.83 -23.1 48.33 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 121.546 1.497 . . . . 0.0 112.12 -174.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -84.39 -31.95 24.43 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 117.97 0.35 . . . . 0.0 110.774 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.2 t -81.8 -29.19 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 122.427 0.291 . . . . 0.0 110.305 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.2 t -70.32 -38.65 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -71.59 -28.08 63.58 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.314 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.28 -24.62 46.71 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 122.171 -0.331 . . . . 0.0 110.258 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.57 -30.79 52.74 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.257 -0.277 . . . . 0.0 111.214 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -80.56 -34.38 35.41 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 117.905 0.32 . . . . 0.0 110.847 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.86 -29.66 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 118.598 0.636 . . . . 0.0 110.502 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -73.3 -32.25 64.51 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.79 -35.19 62.52 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.26 -37.6 83.7 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 118.279 0.49 . . . . 0.0 111.509 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -90.5 -9.93 45.47 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.45 -6.25 15.5 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 tt -73.41 -22.99 60.09 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.183 0.593 . . . . 0.0 111.146 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.31 -10.16 56.57 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.06 -0.4 . . . . 0.0 110.568 176.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.5 m -109.18 6.9 25.18 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.861 0.864 . . . . 0.0 110.915 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -67.75 132.1 46.8 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -99.55 -16.34 18.32 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.43 22.1 71.12 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -68.53 -9.13 47.22 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.048 0.539 . . . . 0.0 111.051 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.7 t -157.4 174.15 15.84 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.03 0.932 . . . . 0.0 108.833 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.47 155.06 12.73 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -63.71 -33.19 75.1 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -173.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -74.46 -22.59 59.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 120.0 -0.68 . . . . 0.0 111.321 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 m -67.91 -33.86 75.53 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -82.05 -33.82 29.74 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.24 0.616 . . . . 0.0 110.482 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.69 -35.09 72.62 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -64.41 -39.78 94.51 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.867 0.467 . . . . 0.0 110.061 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -67.59 -36.63 81.24 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 117.431 0.105 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.6 mt -74.67 -36.23 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.75 73.8 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 117.891 0.314 . . . . 0.0 111.746 -175.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.3 p -72.72 -32.61 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 CA-C-N 118.146 0.43 . . . . 0.0 110.061 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -82.53 -22.03 35.16 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.411 -0.328 . . . . 0.0 111.202 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.5 m -75.85 -38.97 57.46 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 118.85 0.75 . . . . 0.0 109.308 175.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.65 -28.15 58.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 122.279 -0.263 . . . . 0.0 110.836 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -81.65 -32.36 31.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.015 -0.428 . . . . 0.0 110.884 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -71.64 -21.1 61.87 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -74.63 -27.29 60.38 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 122.226 -0.296 . . . . 0.0 110.737 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.45 -21.14 53.41 Favored 'General case' 0 C--N 1.338 0.108 0 O-C-N 121.831 -0.543 . . . . 0.0 112.279 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.5 m -96.3 -14.9 7.7 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.129 0 CA-C-N 118.419 0.554 . . . . 0.0 111.162 176.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.54 -21.49 48.68 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.028 -0.42 . . . . 0.0 110.788 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -114.06 -15.13 12.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.094 0.558 . . . . 0.0 110.707 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.83 -13.17 80.21 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 112.074 -0.411 . . . . 0.0 112.074 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -100.83 3.47 42.02 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 117.391 0.596 . . . . 0.0 111.427 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -87.71 -17.93 30.63 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.47 0.708 . . . . 0.0 111.778 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 81.5 mt -137.85 32.28 2.46 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.682 0.793 . . . . 0.0 110.293 -172.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.74 -12.1 51.09 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.436 0.695 . . . . 0.0 111.134 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -80.9 5.04 17.34 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.463 0.705 . . . . 0.0 111.24 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 50.0 t . . . . . 0 C--O 1.25 1.101 0 CA-C-O 117.136 -1.412 . . . . 0.0 110.105 -178.926 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.704 1 O4'-C1'-N19 111.81 5.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.475 1 O4'-C1'-N19 111.839 5.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.615 0 O4'-C1'-N19 110.627 3.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.428 0 O4'-C4'-C3' 109.243 3.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 O4'-C1'-N19 110.046 2.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.544 1 O4'-C1'-N19 111.464 4.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.2 0 O4'-C1'-N19 110.753 3.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 N--CA 1.477 0.889 0 CA-C-O 120.364 0.126 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m 55.88 27.19 10.64 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.707 0.803 . . . . 0.0 112.684 -176.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -87.59 165.15 15.66 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.51 0.724 . . . . 0.0 110.692 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -145.12 155.49 43.34 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 123.087 0.555 . . . . 0.0 110.504 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 mp -94.19 79.9 4.01 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.762 0.425 . . . . 0.0 109.974 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.7 p -66.8 167.99 10.41 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -64.58 -17.97 64.45 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 121.93 -0.481 . . . . 0.0 111.155 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -76.35 -46.82 25.77 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.151 -0.343 . . . . 0.0 110.543 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.96 -27.02 10.9 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 CA-C-N 117.891 0.314 . . . . 0.0 110.678 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.0 tp -70.98 -27.52 63.77 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.1 t -77.88 -34.52 19.71 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 O-C-N 122.33 -0.231 . . . . 0.0 110.469 175.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.79 -29.64 68.87 Favored 'General case' 0 C--N 1.337 0.059 0 O-C-N 121.83 -0.544 . . . . 0.0 109.884 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -71.53 -31.63 67.26 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -74.4 -29.46 24.24 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -71.38 -15.43 62.37 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.235 0.47 . . . . 0.0 110.889 176.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -84.32 4.62 30.32 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.666 0.387 . . . . 0.0 111.149 173.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.94 7.25 64.51 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-O 119.451 -0.638 . . . . 0.0 112.868 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -79.7 108.19 13.05 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 118.261 1.03 . . . . 0.0 109.94 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -80.16 -25.05 39.97 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.225 -0.297 . . . . 0.0 110.467 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.597 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -73.15 -30.37 63.54 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 122.093 -0.379 . . . . 0.0 110.167 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.79 -28.33 67.5 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -74.43 -30.45 61.91 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.831 -0.347 . . . . 0.0 110.092 177.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -65.67 -36.14 82.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.834 -0.541 . . . . 0.0 110.28 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.63 -26.95 61.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.4 tp -75.39 -29.5 59.85 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.685 0.394 . . . . 0.0 110.133 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.5 t -72.08 -46.18 59.97 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.098 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.79 -23.7 33.99 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 O-C-N 122.252 -0.28 . . . . 0.0 110.537 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -75.55 -32.77 60.56 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.779 0.432 . . . . 0.0 111.803 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -116.19 -2.74 12.11 Favored 'General case' 0 C--O 1.228 -0.059 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -59.04 -31.9 69.26 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 119.18 0.9 . . . . 0.0 112.87 -172.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.2 p-80 -85.44 -27.03 26.0 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.115 0.416 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -81.52 -34.79 31.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.6 p -78.68 -29.89 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 110.537 -0.172 . . . . 0.0 110.537 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.0 -26.75 66.06 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.3 m -79.31 -22.01 45.18 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 122.688 0.395 . . . . 0.0 110.853 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.9 tp -83.5 -43.33 15.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.804 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 m -80.49 -21.45 11.47 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.059 0 CA-C-N 118.777 0.717 . . . . 0.0 111.639 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.9 p -63.38 -15.6 57.99 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.102 0.41 . . . . 0.0 110.862 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -75.56 -11.6 60.05 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.141 0.576 . . . . 0.0 110.904 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -126.95 -13.16 5.8 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -174.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.6 m -137.07 155.43 76.13 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 118.633 0.651 . . . . 0.0 111.31 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 157.41 35.13 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.613 2.875 . . . . 0.0 110.97 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.1 p -62.1 -18.54 61.09 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 111.628 0.232 . . . . 0.0 111.628 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.67 -12.96 83.68 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.523 -0.599 . . . . 0.0 112.324 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -117.9 -3.93 11.14 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.07 0.935 . . . . 0.0 111.957 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.414 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.9 t -58.01 -50.54 87.54 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.724 177.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.5 Cg_endo -66.59 -22.72 50.57 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 CA-C-N 120.709 1.289 . . . . 0.0 111.865 -175.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -82.6 -32.6 28.32 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.012 -0.43 . . . . 0.0 110.633 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 77.6 t -82.57 -27.8 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 122.621 0.368 . . . . 0.0 110.539 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.0 t -72.55 -34.98 49.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -74.48 -21.09 59.75 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 121.177 -0.209 . . . . 0.0 110.534 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -84.73 -21.25 30.15 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.048 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.24 -34.56 28.79 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 122.166 -0.334 . . . . 0.0 111.461 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -80.59 -32.85 36.34 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 118.097 0.408 . . . . 0.0 110.92 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.16 -28.3 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -74.63 -31.79 62.1 Favored 'General case' 0 C--N 1.339 0.115 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.48 -35.7 63.28 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -62.95 -37.56 87.54 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.15 0.432 . . . . 0.0 111.44 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -87.92 -9.81 52.49 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.18 -6.85 15.42 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 177.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 tt -74.72 -18.89 60.43 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.56 0.744 . . . . 0.0 111.074 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.41 -8.76 53.31 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.225 -0.297 . . . . 0.0 110.414 175.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.4 m -114.94 8.58 15.91 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.864 0.866 . . . . 0.0 111.159 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -67.58 131.8 46.33 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -99.45 -18.57 17.39 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 123.154 0.582 . . . . 0.0 112.499 -174.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.15 21.23 74.03 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -69.38 -7.91 41.77 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.34 0.656 . . . . 0.0 111.368 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.422 ' HG ' HG21 ' A' ' 72' ' ' THR . 43.3 t -158.05 173.08 17.29 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.0 0.92 . . . . 0.0 109.272 177.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.45 152.66 21.08 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.78 -33.3 75.36 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -172.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -73.46 -22.16 60.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.822 0.737 . . . . 0.0 111.151 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.422 HG21 ' HG ' ' A' ' 68' ' ' SER . 19.6 m -68.56 -34.3 75.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -81.95 -32.07 30.94 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.169 0.587 . . . . 0.0 110.227 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.23 -35.52 71.49 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -64.18 -39.77 94.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -67.31 -36.44 81.5 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-O 119.714 -0.184 . . . . 0.0 110.764 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.15 -38.11 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.77 -40.25 79.79 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 118.097 0.408 . . . . 0.0 111.904 -174.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.33 -34.66 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.049 0 CA-C-N 118.177 0.444 . . . . 0.0 110.413 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -80.4 -16.87 53.46 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.25 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.5 m -82.63 -39.6 21.92 Favored 'General case' 0 CA--C 1.523 -0.083 0 CA-C-N 118.422 0.555 . . . . 0.0 109.524 174.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.73 -30.84 64.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 122.44 -0.163 . . . . 0.0 110.817 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -81.06 -27.03 35.88 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.269 -0.269 . . . . 0.0 111.278 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -75.14 -23.18 57.78 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -74.13 -32.34 63.13 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 121.876 -0.515 . . . . 0.0 110.905 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.99 -30.34 65.14 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.039 -0.413 . . . . 0.0 111.332 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.1 m -91.65 -16.72 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 CA-C-N 117.715 0.234 . . . . 0.0 111.37 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.03 -19.5 60.61 Favored 'General case' 0 N--CA 1.457 -0.109 0 O-C-N 122.295 -0.253 . . . . 0.0 110.632 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -109.87 -20.44 12.77 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.709 0.404 . . . . 0.0 111.301 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.04 -15.86 73.74 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-O 119.965 -0.353 . . . . 0.0 112.234 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -101.93 11.62 38.26 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 117.629 0.715 . . . . 0.0 111.793 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 -69.66 -22.59 63.44 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.1 mt -132.76 -15.62 2.67 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.063 0.945 . . . . 0.0 110.27 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 52.74 23.35 2.68 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.753 1.221 . . . . 0.0 112.524 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 49.7 tp -145.0 -23.38 0.5 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.153 0.581 . . . . 0.0 111.448 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.251 1.155 0 CA-C-O 116.559 -1.686 . . . . 0.0 111.48 179.565 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.599 1 O4'-C1'-N19 112.225 5.531 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.605 " H1'" ' C6 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.883 1 O4'-C1'-N19 112.287 5.608 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.605 ' C6 ' " H1'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.42 -2.373 1 C5'-C4'-C3' 108.54 -4.106 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.467 0 O4'-C4'-C3' 109.028 3.428 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.974 0 O4'-C1'-N19 109.72 2.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.528 1 O4'-C1'-N19 111.782 4.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 1 O4'-C1'-N19 111.054 4.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.7 ttp . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 110.61 -0.144 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -149.69 168.92 22.27 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.41 0.684 . . . . 0.0 110.58 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -127.71 3.35 6.09 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.712 0.405 . . . . 0.0 111.33 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -149.97 146.55 27.09 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.704 0.801 . . . . 0.0 109.048 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.7 mp -87.49 83.32 7.29 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.6 p -68.94 173.13 5.67 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.321 0.648 . . . . 0.0 110.23 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.08 -14.87 53.6 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.242 -0.286 . . . . 0.0 111.078 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -52.31 14.01 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 m -77.15 -25.99 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 117.842 0.292 . . . . 0.0 110.838 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.1 tp -74.18 -28.37 61.26 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.0 t -77.55 -35.12 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 175.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -70.74 -28.53 64.78 Favored 'General case' 0 C--N 1.338 0.074 0 O-C-N 121.91 -0.494 . . . . 0.0 110.523 176.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -72.51 -30.29 64.36 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 122.29 -0.256 . . . . 0.0 110.473 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.5 t -75.31 -28.43 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -72.09 -15.74 62.01 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.024 -0.422 . . . . 0.0 110.893 176.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -83.98 4.3 30.39 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.49 0.316 . . . . 0.0 110.93 173.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.47 6.88 63.91 Favored Glycine 0 CA--C 1.527 0.833 0 CA-C-O 119.768 -0.462 . . . . 0.0 112.848 175.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -78.76 108.76 12.43 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.249 1.024 . . . . 0.0 109.66 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -80.12 -26.84 39.3 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.6 mmpt? -72.3 -30.17 64.54 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.37 67.84 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -74.8 -29.92 61.25 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -65.84 -35.33 80.37 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 122.054 -0.404 . . . . 0.0 110.273 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.36 -25.25 59.4 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 122.02 -0.425 . . . . 0.0 109.926 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -76.38 -29.68 57.22 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.3 t -71.51 -46.1 65.06 Favored 'Isoleucine or valine' 0 C--N 1.339 0.123 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.9 t -64.32 -23.79 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 CA-C-N 117.775 0.261 . . . . 0.0 110.429 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -75.69 -32.73 60.22 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.606 0.362 . . . . 0.0 111.596 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -115.55 -2.86 12.42 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -59.85 -30.61 69.08 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.652 1.115 . . . . 0.0 113.027 -173.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -85.4 -27.65 25.65 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 118.097 0.408 . . . . 0.0 110.888 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -82.12 -33.34 29.73 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.494 0.318 . . . . 0.0 110.557 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 p -80.99 -29.33 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.38 -26.47 65.58 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.172 -0.33 . . . . 0.0 110.254 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 m -79.25 -22.4 44.82 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.516 0.326 . . . . 0.0 110.33 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.3 tp -84.22 -43.39 14.94 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.446 0.298 . . . . 0.0 111.743 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 m -78.97 -21.22 12.75 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.375 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.4 t -61.34 -15.58 37.39 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 122.257 -0.277 . . . . 0.0 110.929 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -80.22 -10.46 59.76 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.347 0.659 . . . . 0.0 111.41 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -127.1 -14.1 5.54 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.0 m -137.14 154.67 75.97 Favored Pre-proline 0 N--CA 1.461 0.122 0 CA-C-N 118.403 0.547 . . . . 0.0 110.264 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.94 161.1 47.25 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.254 2.636 . . . . 0.0 109.889 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.8 p -60.26 -18.83 51.71 Favored 'General case' 0 CA--C 1.526 0.055 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.27 -14.41 82.36 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 119.276 -0.735 . . . . 0.0 112.487 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -118.45 -6.95 10.72 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 117.997 0.898 . . . . 0.0 112.143 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.407 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 49.9 t -55.95 -50.86 84.81 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-O 118.291 -0.861 . . . . 0.0 112.217 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.4 Cg_endo -66.51 -22.45 51.53 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 121.579 1.519 . . . . 0.0 111.95 -173.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -86.21 -29.59 23.06 Favored 'General case' 0 C--N 1.335 -0.042 0 CA-C-N 118.045 0.384 . . . . 0.0 111.088 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.6 t -81.81 -31.01 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -69.91 -37.06 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -72.54 -26.35 61.71 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.763 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -81.73 -25.42 35.41 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.89 -31.5 59.25 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.133 0.173 . . . . 0.0 111.211 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -81.93 -33.89 30.13 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.02 0.373 . . . . 0.0 110.812 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.5 -29.64 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 118.741 0.701 . . . . 0.0 109.925 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -71.73 -34.41 69.53 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.68 -33.2 62.42 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.265 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -62.35 -39.8 94.3 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 118.009 0.368 . . . . 0.0 111.56 -176.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -92.91 -8.21 43.94 Favored 'General case' 0 C--N 1.339 0.127 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -103.77 -8.65 19.66 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.115 0.416 . . . . 0.0 111.915 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.7 tt -75.29 -18.41 60.06 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.708 0.803 . . . . 0.0 111.207 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.9 -8.86 52.2 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 122.286 -0.258 . . . . 0.0 110.539 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.7 m -114.86 7.14 15.64 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.006 0.922 . . . . 0.0 111.05 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -67.75 129.83 41.13 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -99.5 -15.96 18.49 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.07 22.29 71.67 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -69.22 -7.76 39.63 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.141 0.577 . . . . 0.0 110.96 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.405 ' HG ' HG22 ' A' ' 72' ' ' THR . 45.5 t -156.9 172.02 19.39 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.112 0.965 . . . . 0.0 108.947 176.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.18 153.67 21.55 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -63.95 -33.38 75.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.634 -0.426 . . . . 0.0 112.074 -173.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -71.18 -23.48 62.05 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.677 0.671 . . . . 0.0 110.978 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.405 HG22 ' HG ' ' A' ' 68' ' ' SER . 21.4 m -69.63 -34.41 74.02 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -82.27 -29.96 30.9 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 122.997 0.519 . . . . 0.0 110.722 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.16 -40.84 62.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.42 -40.83 97.81 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -65.25 -38.02 89.03 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.446 0.699 . . . . 0.0 111.017 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.2 mt -77.51 -36.37 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.55 -37.91 80.35 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.904 0.32 . . . . 0.0 111.755 -175.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.9 p -74.41 -33.73 34.25 Favored 'Isoleucine or valine' 0 C--N 1.337 0.037 0 CA-C-N 118.336 0.516 . . . . 0.0 110.139 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -78.98 -17.06 56.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 119.434 -0.317 . . . . 0.0 110.985 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.9 m -84.97 -38.65 19.02 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 118.325 0.511 . . . . 0.0 110.164 176.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.25 -28.95 61.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 122.34 -0.225 . . . . 0.0 111.139 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -80.27 -31.64 38.31 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.047 -0.408 . . . . 0.0 110.679 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -76.01 -19.15 58.92 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.068 0.461 . . . . 0.0 109.903 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -74.46 -30.07 61.72 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 121.865 -0.522 . . . . 0.0 110.521 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.12 -38.42 69.29 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.015 0.371 . . . . 0.0 111.221 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.49 -19.12 14.95 Favored 'Isoleucine or valine' 0 C--N 1.339 0.111 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.609 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.4 -25.11 65.78 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 122.149 -0.344 . . . . 0.0 110.492 175.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -76.22 -32.32 58.88 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 121.336 -0.146 . . . . 0.0 110.771 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.49 -25.65 38.53 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.898 -0.39 . . . . 0.0 112.697 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -87.58 -10.02 52.73 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 117.669 0.734 . . . . 0.0 111.921 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.0 ttp-105 -70.79 -24.84 62.65 Favored 'General case' 0 C--O 1.227 -0.09 0 CA-C-N 117.859 0.3 . . . . 0.0 110.379 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.97 6.01 34.38 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.53 0.732 . . . . 0.0 110.562 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -123.3 6.77 9.06 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.568 0.747 . . . . 0.0 110.727 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 37.8 tp -105.21 -7.78 18.77 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.436 0.694 . . . . 0.0 110.986 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.088 -1.434 . . . . 0.0 110.308 179.91 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 111.774 4.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.579 0 O4'-C1'-N19 110.95 3.938 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.14 2 O4'-C1'-N19 111.587 4.734 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.726 0 O4'-C4'-C3' 108.916 3.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.553 0 O4'-C1'-N19 110.068 2.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.485 1 O4'-C1'-N19 111.499 4.624 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.484 0 O4'-C4'-C3' 108.131 2.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 110.91 -0.033 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 m -136.76 12.01 3.15 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.145 0.578 . . . . 0.0 111.635 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.437 ' HG2' ' H ' ' A' ' 5' ' ' LEU . 39.2 tt0 -145.51 147.89 32.63 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -132.49 13.47 4.53 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.256 0.623 . . . . 0.0 111.337 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.437 ' H ' ' HG2' ' A' ' 3' ' ' GLU . 6.7 mp -108.33 34.16 3.77 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.155 0.982 . . . . 0.0 109.974 -176.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.8 p -65.36 173.89 2.39 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.85 0.86 . . . . 0.0 111.175 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -66.78 -14.57 62.77 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 122.225 -0.297 . . . . 0.0 111.482 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -72.61 -43.23 63.58 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.043 -0.41 . . . . 0.0 110.511 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.4 p -81.8 -24.23 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 118.027 0.376 . . . . 0.0 110.252 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.2 tp -71.65 -28.1 63.52 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.2 t -75.7 -35.48 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.18 -29.04 66.94 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-N 118.401 0.546 . . . . 0.0 110.233 177.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -72.83 -29.95 63.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 122.311 -0.243 . . . . 0.0 110.65 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.3 t -75.64 -27.78 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -71.92 -15.95 62.1 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.969 0.349 . . . . 0.0 110.621 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -83.45 4.73 26.47 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.507 0.323 . . . . 0.0 110.94 172.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.19 10.47 68.62 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-O 119.615 -0.547 . . . . 0.0 112.892 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -77.53 114.56 16.49 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.187 0.994 . . . . 0.0 110.097 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -80.05 -26.93 39.5 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.695 0.398 . . . . 0.0 111.347 -179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.6 mmpt? -77.87 -30.24 50.78 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -177.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.53 -29.19 68.53 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -76.2 -31.94 58.71 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -62.3 -36.67 82.84 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 117.982 0.355 . . . . 0.0 110.508 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.77 -32.06 69.06 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.0 tp -71.42 -29.61 65.1 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.434 0.294 . . . . 0.0 110.482 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.3 t -72.04 -39.54 66.14 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -67.73 -24.21 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 O-C-N 122.053 -0.404 . . . . 0.0 110.477 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -75.0 -32.72 61.72 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-O 119.259 -0.4 . . . . 0.0 111.577 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -115.48 0.22 13.29 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 -175.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -60.99 -28.6 69.14 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.569 1.077 . . . . 0.0 112.89 -175.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -85.23 -26.33 26.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.385 0.538 . . . . 0.0 110.597 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.705 ' HE2' ' CZ ' ' A' ' 71' ' ' TYR . 2.4 tmtm? -74.51 -44.71 50.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.536 0.735 . . . . 0.0 110.646 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.421 HG12 ' CE2' ' A' ' 54' ' ' PHE . 11.5 p -74.11 -32.85 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.081 -177.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.98 -25.81 65.61 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.526 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.8 m -82.07 -21.53 36.8 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.046 0.539 . . . . 0.0 110.891 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -87.96 -39.78 14.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.675 0.39 . . . . 0.0 111.453 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -81.36 -23.7 10.33 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 CA-C-N 118.503 0.592 . . . . 0.0 111.094 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 99.0 p -62.27 -15.35 46.84 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.056 0.389 . . . . 0.0 110.696 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 -78.35 -8.57 58.59 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.415 0.686 . . . . 0.0 111.269 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -126.79 -17.86 4.86 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.7 m -133.65 153.59 80.24 Favored Pre-proline 0 CA--C 1.527 0.094 0 CA-C-N 118.551 0.614 . . . . 0.0 111.006 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.29 162.16 42.95 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.23 2.62 . . . . 0.0 109.825 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.7 p -59.92 -17.98 41.49 Favored 'General case' 0 C--N 1.338 0.086 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -174.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.38 -15.65 81.32 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.499 -0.611 . . . . 0.0 112.607 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -118.58 -5.88 10.71 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.669 0.734 . . . . 0.0 112.155 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.416 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.4 t -56.85 -50.1 90.03 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.903 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.416 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.5 Cg_endo -67.32 -22.54 45.88 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 121.402 1.401 . . . . 0.0 112.248 -175.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -82.39 -34.44 28.34 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.262 0.483 . . . . 0.0 110.458 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.7 t -79.04 -28.51 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 122.506 0.322 . . . . 0.0 110.195 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.6 t -72.73 -33.59 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.25 -24.24 60.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 119.565 -0.255 . . . . 0.0 111.067 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -81.87 -28.76 32.8 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 118.733 0.697 . . . . 0.0 110.094 174.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.04 75.77 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 121.876 -0.515 . . . . 0.0 111.364 -176.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.421 ' CE2' HG12 ' A' ' 33' ' ' VAL . 34.9 m-85 -84.29 -32.39 24.39 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 118.219 0.463 . . . . 0.0 111.124 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.09 -30.45 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-N 118.723 0.692 . . . . 0.0 110.002 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -74.45 -32.16 62.51 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.89 -33.63 64.1 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 119.625 -0.226 . . . . 0.0 110.523 176.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -64.3 -37.89 89.1 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 118.418 0.554 . . . . 0.0 111.326 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -87.47 -10.82 50.8 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -106.92 -7.36 17.08 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 tt -74.41 -20.08 60.18 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.359 0.664 . . . . 0.0 110.822 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.99 -8.19 53.09 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.099 -0.376 . . . . 0.0 110.315 174.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.6 m -114.67 12.55 17.18 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.13 0.972 . . . . 0.0 111.225 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -64.93 131.45 46.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 -99.69 -18.44 17.27 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 122.963 0.505 . . . . 0.0 111.993 -173.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.52 20.87 79.91 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 112.082 -0.407 . . . . 0.0 112.082 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -68.76 -10.31 55.82 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 117.521 0.661 . . . . 0.0 111.03 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.7 t -154.72 173.27 16.64 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.256 1.022 . . . . 0.0 108.469 175.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.15 153.56 17.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -62.67 -31.48 72.38 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 122.193 -0.317 . . . . 0.0 111.803 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.705 ' CZ ' ' HE2' ' A' ' 32' ' ' LYS . 62.0 t80 -70.32 -31.18 68.37 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.066 0.394 . . . . 0.0 111.095 -178.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.0 m -64.76 -34.73 79.02 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -81.99 -34.79 29.49 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.695 0.798 . . . . 0.0 111.107 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -35.74 81.97 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -66.85 -41.8 86.76 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.331 -0.366 . . . . 0.0 111.191 -177.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -62.86 -41.95 99.57 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 118.514 0.597 . . . . 0.0 111.191 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.9 mt -69.55 -35.19 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.71 85.22 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -175.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.0 p -76.42 -35.36 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 118.287 0.494 . . . . 0.0 110.35 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -77.35 -17.05 58.58 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 122.265 -0.272 . . . . 0.0 111.082 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.9 m -80.68 -38.46 28.96 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 118.368 0.531 . . . . 0.0 109.69 174.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.0 -29.15 60.8 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.349 -0.22 . . . . 0.0 110.984 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -79.94 -28.53 39.67 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.131 0.423 . . . . 0.0 110.789 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -73.36 -21.63 60.48 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -75.56 -29.9 59.52 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 119.559 -0.258 . . . . 0.0 110.678 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.5 mt -77.66 -32.44 53.2 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 118.13 0.423 . . . . 0.0 111.91 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.5 m -77.37 -22.55 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-N 118.42 0.555 . . . . 0.0 110.02 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.94 -11.11 59.63 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 122.908 0.483 . . . . 0.0 110.407 173.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -96.25 -28.75 14.38 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.243 0.617 . . . . 0.0 110.579 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.12 -14.02 72.93 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 119.863 -0.409 . . . . 0.0 112.416 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -105.36 10.55 33.41 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 117.609 0.704 . . . . 0.0 112.128 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 -70.91 -14.7 62.47 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.625 0.37 . . . . 0.0 111.259 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.2 mt -125.64 17.38 8.11 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.781 0.832 . . . . 0.0 111.495 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -141.22 156.94 45.85 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.799 0.333 . . . . 0.0 110.72 -178.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.0 tp -88.36 6.32 37.84 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.455 0.702 . . . . 0.0 112.09 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.252 1.228 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.071 -178.34 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.271 0 O4'-C1'-N19 110.679 3.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.426 " H4'" " H5'" ' B' ' 3' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.477 1 O4'-C1'-N19 112.957 6.446 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.426 " H5'" " H4'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.386 0 P-O3'-C3' 123.763 3.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.66 0 O4'-C4'-C3' 109.405 3.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 0 O4'-C1'-N19 109.954 2.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.235 1 O4'-C1'-N19 112.284 5.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 0 O4'-C1'-N19 110.98 3.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttm . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -139.12 169.4 17.85 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.259 0.624 . . . . 0.0 110.456 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -127.55 157.31 40.49 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.159 0.584 . . . . 0.0 110.479 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -83.75 156.0 22.77 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.88 26.08 1.91 Allowed 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.1 p -63.16 167.02 5.38 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.19 -17.45 62.42 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.678 -0.638 . . . . 0.0 111.415 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -76.61 -51.52 11.44 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.976 -0.452 . . . . 0.0 110.357 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.34 -28.11 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.048 0 CA-C-N 117.662 0.21 . . . . 0.0 110.625 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp -72.26 -28.9 63.43 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.7 t -77.12 -35.28 22.72 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 CA-C-O 119.42 -0.324 . . . . 0.0 110.758 175.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.52 -29.42 68.82 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 118.355 0.525 . . . . 0.0 110.307 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -80.09 -28.53 39.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.02 0.528 . . . . 0.0 111.71 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.75 -41.46 47.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 118.055 0.389 . . . . 0.0 110.914 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -74.26 -14.83 60.97 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.652 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -69.68 -10.77 59.59 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.687 0.795 . . . . 0.0 110.655 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.52 5.89 36.24 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.191 -0.783 . . . . 0.0 113.107 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -80.14 117.31 20.83 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.609 1.204 . . . . 0.0 110.377 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -80.62 -27.45 37.29 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 122.572 0.349 . . . . 0.0 111.602 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.565 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.9 mmpt? -78.08 -29.5 49.17 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -176.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -26.89 66.95 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -80.41 -36.24 34.03 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.002 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -62.17 -31.78 72.32 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.913 -0.492 . . . . 0.0 110.003 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mp -78.37 -28.07 46.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 tp -75.57 -31.17 59.9 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.813 0.445 . . . . 0.0 110.297 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.9 t -68.57 -48.83 70.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.64 -23.85 28.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 117.665 0.211 . . . . 0.0 110.59 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -65.84 -35.22 80.05 Favored 'General case' 0 N--CA 1.457 -0.122 0 O-C-N 122.149 -0.344 . . . . 0.0 110.966 178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -114.26 0.09 14.06 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -57.72 -40.64 80.07 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 118.785 0.721 . . . . 0.0 112.304 -173.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -81.58 -24.22 36.63 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 121.953 -0.467 . . . . 0.0 110.876 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -83.19 -36.42 24.68 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 122.393 0.277 . . . . 0.0 110.964 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 p -76.78 -27.77 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.19 -33.55 75.63 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.4 m -74.62 -22.05 59.13 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 122.22 0.208 . . . . 0.0 110.843 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.1 tp -82.31 -42.54 18.64 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 119.168 -0.444 . . . . 0.0 111.582 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 m -79.01 -21.57 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.038 0 CA-C-N 118.959 0.8 . . . . 0.0 111.324 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.9 m -60.03 -15.5 23.29 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.097 0.408 . . . . 0.0 111.037 176.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -81.26 -10.7 59.54 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 123.085 0.554 . . . . 0.0 111.52 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -127.06 -13.21 5.73 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -136.87 153.34 75.46 Favored Pre-proline 0 N--CA 1.463 0.223 0 CA-C-N 118.399 0.545 . . . . 0.0 110.729 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -70.09 160.92 47.9 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 123.642 2.895 . . . . 0.0 109.814 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.8 p -59.63 -17.14 31.12 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -174.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.17 -15.6 81.3 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 119.507 -0.607 . . . . 0.0 112.371 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -118.52 -6.01 10.73 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.839 0.82 . . . . 0.0 112.316 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 71.3 t -57.01 -51.89 78.24 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-O 118.381 -0.819 . . . . 0.0 112.097 -178.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -67.55 -22.96 43.81 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 CA-C-N 120.842 1.337 . . . . 0.0 112.057 -174.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -84.11 -31.87 25.03 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.175 -0.328 . . . . 0.0 110.836 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.6 t -81.49 -29.11 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.053 0 C-N-CA 122.777 0.431 . . . . 0.0 109.995 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.24 -38.05 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -72.65 -28.11 62.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.36 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -78.63 -23.11 46.02 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.133 -0.355 . . . . 0.0 110.279 176.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.95 -30.92 56.26 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 119.606 -0.235 . . . . 0.0 111.364 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -82.95 -33.81 26.62 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 117.995 0.361 . . . . 0.0 110.973 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.87 -29.09 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 118.695 0.679 . . . . 0.0 110.274 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -74.81 -32.67 62.04 Favored 'General case' 0 C--N 1.34 0.162 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.16 -35.79 69.13 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -61.83 -37.93 86.3 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.174 0.443 . . . . 0.0 111.686 -177.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -87.99 -9.9 52.05 Favored 'General case' 0 N--CA 1.457 -0.081 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.73 -5.28 15.02 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.2 tt -75.3 -22.97 57.31 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.356 0.662 . . . . 0.0 111.505 -175.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -70.8 -8.41 52.26 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.938 -0.476 . . . . 0.0 110.067 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m -110.97 9.36 22.22 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.804 0.842 . . . . 0.0 110.929 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -67.17 133.72 50.35 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.6 mtt85 -99.64 -17.9 17.58 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -174.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.24 22.08 76.75 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -68.59 -9.06 47.27 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.217 0.607 . . . . 0.0 110.914 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.2 t -158.41 174.77 14.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.321 1.049 . . . . 0.0 109.271 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.36 155.58 14.43 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -64.31 -32.83 74.58 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 121.947 -0.47 . . . . 0.0 112.04 -173.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -71.5 -25.55 62.3 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.741 0.7 . . . . 0.0 111.078 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 m -66.51 -35.53 80.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -81.82 -33.93 30.48 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.029 0.532 . . . . 0.0 110.393 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.27 -34.65 75.08 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -65.15 -39.52 93.11 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -67.09 -36.71 82.55 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 117.875 0.307 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.413 HG12 ' C5 ' ' B' ' 3' ' ' ' DT' . 51.7 mt -73.8 -38.07 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.1 75.97 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -175.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.3 p -72.41 -31.67 39.24 Favored 'Isoleucine or valine' 0 C--N 1.34 0.158 0 CA-C-N 118.154 0.434 . . . . 0.0 110.316 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -83.01 -22.16 33.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 119.428 -0.32 . . . . 0.0 111.272 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.5 m -75.02 -39.06 61.33 Favored 'General case' 0 N--CA 1.458 -0.065 0 CA-C-N 118.741 0.701 . . . . 0.0 109.613 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.72 -28.2 60.69 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -81.39 -31.31 33.31 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.273 -0.267 . . . . 0.0 110.548 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -71.95 -22.76 61.41 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -74.33 -29.48 61.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.234 -0.291 . . . . 0.0 110.968 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.48 -26.33 60.86 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 122.041 -0.412 . . . . 0.0 111.434 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.8 m -94.72 -15.5 7.72 Favored 'Isoleucine or valine' 0 C--N 1.338 0.077 0 CA-C-N 117.973 0.352 . . . . 0.0 111.113 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.26 -23.43 62.89 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 122.175 -0.328 . . . . 0.0 110.274 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -96.34 -23.14 16.78 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.106 0.563 . . . . 0.0 110.775 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -78.47 -18.08 76.54 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.564 -0.614 . . . . 0.0 111.564 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -105.33 14.43 28.87 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 123.695 0.798 . . . . 0.0 111.174 177.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -99.38 -9.24 23.72 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.368 0.667 . . . . 0.0 110.954 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 39.7 tp -130.29 -4.52 4.35 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.676 0.79 . . . . 0.0 110.641 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -146.68 152.04 38.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.668 0.787 . . . . 0.0 109.176 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.7 tp 53.05 30.83 10.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.21 0.604 . . . . 0.0 111.66 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 C--O 1.251 1.154 0 CA-C-O 117.366 -1.302 . . . . 0.0 110.199 179.874 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.465 1 O4'-C1'-N19 111.808 5.01 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.199 1 P-O3'-C3' 124.93 4.358 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.413 ' C5 ' HG12 ' A' ' 77' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -2.684 0 O4'-C1'-N19 109.428 2.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.677 0 O4'-C4'-C3' 109.148 3.548 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C1'-N19 109.941 2.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.352 1 O4'-C1'-N19 111.701 4.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.407 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 120.395 0.14 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -155.38 165.7 35.81 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.161 0.585 . . . . 0.0 110.808 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -100.66 168.89 9.4 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.605 0.762 . . . . 0.0 110.471 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -130.5 161.75 30.77 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.186 0.594 . . . . 0.0 110.467 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mp -82.14 82.38 7.72 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.063 0.459 . . . . 0.0 109.825 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p -74.33 169.91 16.68 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.874 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -66.43 -15.16 63.11 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 121.968 -0.457 . . . . 0.0 111.361 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -77.95 -43.61 29.29 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.882 -0.511 . . . . 0.0 110.772 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -83.75 -24.46 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 122.272 0.229 . . . . 0.0 110.691 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.0 tp -78.9 -29.23 44.2 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.314 -0.241 . . . . 0.0 110.688 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 t -77.04 -37.97 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-O 119.557 -0.258 . . . . 0.0 110.866 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.94 -22.93 59.48 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.225 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -70.95 -31.55 68.16 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.8 t -73.27 -28.7 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -71.99 -15.21 62.05 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 117.895 0.316 . . . . 0.0 110.922 176.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -84.48 4.85 29.89 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.853 0.461 . . . . 0.0 111.163 173.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.52 8.13 64.35 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.647 -0.529 . . . . 0.0 113.104 176.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -79.93 109.06 14.01 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.264 1.032 . . . . 0.0 109.972 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -80.33 -26.37 38.77 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 122.238 -0.289 . . . . 0.0 110.63 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.602 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.3 mmpt? -71.84 -31.13 66.19 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 121.933 -0.479 . . . . 0.0 109.768 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -28.98 68.65 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -74.85 -31.03 61.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -64.33 -36.07 82.92 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.907 -0.496 . . . . 0.0 110.317 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.13 -25.28 59.67 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.3 tp -75.1 -30.05 60.79 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.0 t -71.52 -44.46 70.78 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.7 -23.75 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 O-C-N 122.19 -0.318 . . . . 0.0 110.49 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -73.66 -36.44 65.36 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.696 0.398 . . . . 0.0 111.855 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -114.6 -1.45 13.35 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -58.96 -30.68 68.08 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 119.263 0.938 . . . . 0.0 112.709 -174.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -87.12 -25.73 23.98 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 118.358 0.527 . . . . 0.0 111.023 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -82.69 -33.38 27.67 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.405 0.282 . . . . 0.0 110.508 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -80.85 -29.8 11.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.07 -27.65 65.82 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.7 m -78.29 -22.27 48.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.27 0.228 . . . . 0.0 110.595 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -81.5 -45.77 15.48 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 119.405 -0.331 . . . . 0.0 111.535 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 m -78.05 -21.32 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.066 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.136 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -62.28 -15.87 50.28 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 117.761 0.255 . . . . 0.0 110.641 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -79.04 -9.02 59.42 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.247 0.619 . . . . 0.0 111.035 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.426 ' CE2' HG22 ' A' ' 79' ' ' VAL . 61.4 m-85 -126.91 -19.69 4.38 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.1 m -133.24 153.63 80.75 Favored Pre-proline 0 N--CA 1.461 0.092 0 CA-C-N 118.386 0.539 . . . . 0.0 110.767 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.33 161.33 46.32 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 123.308 2.672 . . . . 0.0 109.899 177.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.0 p -59.3 -18.34 36.91 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.21 -14.94 81.82 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.611 -0.549 . . . . 0.0 112.556 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -118.89 -5.97 10.56 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.045 0.923 . . . . 0.0 111.866 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.415 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.4 t -57.36 -50.98 85.1 Favored Pre-proline 0 CA--C 1.53 0.181 0 CA-C-O 118.411 -0.804 . . . . 0.0 111.745 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.4 Cg_endo -66.72 -22.25 50.37 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 121.53 1.486 . . . . 0.0 111.693 -175.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -84.39 -31.89 24.46 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 117.97 0.35 . . . . 0.0 110.646 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.3 t -82.46 -28.3 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 C-N-CA 122.48 0.312 . . . . 0.0 110.404 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.6 t -73.01 -35.44 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -74.88 -20.4 59.75 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 110.518 -0.178 . . . . 0.0 110.518 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -85.09 -20.45 30.34 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.728 -0.607 . . . . 0.0 110.078 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.41 -35.25 25.19 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.184 -0.322 . . . . 0.0 111.48 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -80.42 -32.21 37.45 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 118.372 0.533 . . . . 0.0 111.169 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.55 -30.92 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 O-C-N 121.677 -0.639 . . . . 0.0 109.483 -178.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -72.28 -32.81 66.95 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.05 -33.27 61.71 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.509 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -62.12 -39.54 92.9 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 118.262 0.483 . . . . 0.0 111.234 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -92.54 -6.1 50.35 Favored 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.72 -8.18 16.16 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tt -73.26 -17.77 61.29 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 123.206 0.602 . . . . 0.0 110.953 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.2 -8.5 50.41 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 122.014 -0.429 . . . . 0.0 110.686 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.4 m -114.59 3.29 14.79 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.705 0.802 . . . . 0.0 111.468 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -69.07 119.96 14.18 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -99.97 -6.6 26.33 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -174.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.51 28.77 46.57 Favored Glycine 0 CA--C 1.526 0.729 0 CA-C-O 119.761 -0.466 . . . . 0.0 113.209 171.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -70.66 -6.97 40.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 117.867 0.833 . . . . 0.0 111.135 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.8 t -157.36 174.22 15.75 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.676 0.79 . . . . 0.0 109.18 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.69 154.62 14.21 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -63.23 -33.91 76.52 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -173.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -73.41 -22.23 60.29 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 120.094 -0.642 . . . . 0.0 111.235 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.3 m -67.45 -35.28 78.91 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.705 -0.622 . . . . 0.0 109.328 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -82.55 -27.26 31.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.438 0.695 . . . . 0.0 111.083 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -75.11 -41.66 58.07 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -61.8 -37.63 85.09 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.7 tpt85 -66.12 -38.99 89.57 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.771 0.828 . . . . 0.0 110.772 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.9 mt -77.74 -36.85 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.44 -36.47 73.97 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -175.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.426 HG22 ' CE2' ' A' ' 40' ' ' TYR . 8.0 p -78.05 -27.41 14.83 Favored 'Isoleucine or valine' 0 C--N 1.338 0.075 0 CA-C-N 118.064 0.393 . . . . 0.0 110.313 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.41 HD22 ' N2 ' ' B' ' 2' ' ' ' DG' . 37.7 t-20 -82.17 -20.58 37.59 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 122.414 -0.179 . . . . 0.0 110.548 178.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.6 m -82.65 -40.71 20.35 Favored 'General case' 0 N--CA 1.456 -0.133 0 O-C-N 121.811 -0.555 . . . . 0.0 110.335 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.56 -30.09 64.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.779 0.263 . . . . 0.0 111.564 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -83.0 -30.23 28.32 Favored 'General case' 0 N--CA 1.457 -0.119 0 O-C-N 122.264 -0.273 . . . . 0.0 110.939 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -74.23 -21.88 59.59 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -72.45 -32.98 66.72 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.729 0.412 . . . . 0.0 110.717 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.88 -30.1 66.38 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 122.196 -0.315 . . . . 0.0 111.611 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.1 m -93.09 -15.82 7.89 Favored 'Isoleucine or valine' 0 C--N 1.339 0.142 0 CA-C-N 117.795 0.271 . . . . 0.0 111.613 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.94 -16.68 61.08 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.297 0.239 . . . . 0.0 110.393 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -107.41 -16.6 14.34 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.82 0.448 . . . . 0.0 111.487 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.93 -21.34 55.88 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 112.241 -0.344 . . . . 0.0 112.241 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -156.75 150.06 24.24 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.408 0.683 . . . . 0.0 110.187 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -155.5 139.57 16.45 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.9 tp 50.2 36.83 13.31 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.081 0.552 . . . . 0.0 110.961 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -132.74 145.42 51.01 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.194 0.598 . . . . 0.0 110.01 -175.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.5 mt -124.53 13.28 8.74 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.442 0.697 . . . . 0.0 111.785 -173.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.142 -1.409 . . . . 0.0 111.055 179.516 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.795 1 O4'-C1'-N19 113.404 7.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.584 " H1'" ' C6 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.862 1 O4'-C1'-N19 112.58 5.976 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.584 ' C6 ' " H1'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.422 -2.22 1 O4'-C1'-N19 111.368 4.46 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.557 0 O4'-C4'-C3' 109.022 3.422 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.272 0 O4'-C1'-N19 110.124 2.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.484 1 O4'-C1'-N19 111.691 4.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.647 1 O4'-C1'-N19 111.272 4.34 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.9 mmm . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -136.64 5.36 2.9 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -87.86 -3.1 58.96 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.983 -0.448 . . . . 0.0 111.509 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.405 ' C ' HD12 ' A' ' 5' ' ' LEU . 15.4 mm100 55.36 7.33 0.21 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 175.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.405 HD12 ' C ' ' A' ' 4' ' ' GLN . 6.0 mp -137.72 16.37 2.89 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.784 0.72 . . . . 0.0 110.942 177.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.8 p -72.4 179.55 3.4 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.149 0.499 . . . . 0.0 111.05 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -65.11 -17.66 64.65 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 122.071 -0.393 . . . . 0.0 111.108 176.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -68.53 -42.82 77.91 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.925 -0.485 . . . . 0.0 110.746 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 p -84.31 -25.62 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 122.546 0.338 . . . . 0.0 110.679 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.6 tp -79.73 -29.99 40.75 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 119.744 -0.17 . . . . 0.0 110.733 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.8 t -75.14 -39.43 43.36 Favored 'Isoleucine or valine' 0 C--N 1.337 0.062 0 CA-C-N 118.146 0.43 . . . . 0.0 110.381 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.82 -21.61 60.94 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.856 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -72.92 -30.87 64.23 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 117.857 0.299 . . . . 0.0 110.524 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -73.83 -28.44 24.23 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -71.74 -15.68 62.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.939 -0.476 . . . . 0.0 111.164 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -84.57 4.46 32.02 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.75 0.42 . . . . 0.0 111.037 172.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.54 9.14 63.32 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.609 -0.55 . . . . 0.0 113.152 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -80.56 110.9 16.47 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 118.301 1.05 . . . . 0.0 109.887 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -80.27 -28.95 38.29 Favored 'General case' 0 N--CA 1.457 -0.111 0 O-C-N 122.309 -0.245 . . . . 0.0 110.502 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.592 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.8 mmpt? -71.17 -30.26 66.21 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.85 -28.48 68.38 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -76.05 -29.84 58.19 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 122.226 -0.296 . . . . 0.0 110.339 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -65.01 -35.86 82.54 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 122.045 -0.41 . . . . 0.0 110.333 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.25 -30.35 64.78 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.4 tp -70.71 -31.39 68.23 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.58 -42.61 83.59 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -65.46 -24.2 34.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 O-C-N 122.445 -0.159 . . . . 0.0 110.876 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -75.83 -31.4 59.35 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -115.01 -2.93 12.69 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -175.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -59.46 -31.31 69.2 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.467 1.031 . . . . 0.0 112.922 -173.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -87.16 -26.25 23.67 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.187 0.449 . . . . 0.0 110.917 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -81.69 -34.98 30.35 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.434 0.294 . . . . 0.0 110.451 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -79.14 -28.99 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.67 -26.55 65.37 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 m -79.29 -22.16 45.02 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.387 0.275 . . . . 0.0 110.326 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.7 tp -83.1 -44.63 14.92 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.533 0.333 . . . . 0.0 111.814 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.8 m -78.55 -20.15 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 119.939 -0.705 . . . . 0.0 111.433 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 t -61.29 -16.14 42.56 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.041 0.448 . . . . 0.0 110.844 175.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -79.38 -10.92 59.91 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.962 0.505 . . . . 0.0 111.519 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -126.94 -17.47 4.88 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -176.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.6 m -133.72 154.11 80.41 Favored Pre-proline 0 C--O 1.232 0.142 0 CA-C-N 118.379 0.536 . . . . 0.0 110.575 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.85 161.61 45.28 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.36 2.706 . . . . 0.0 109.666 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -59.29 -20.13 51.84 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 122.906 0.482 . . . . 0.0 112.288 -174.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.88 -15.04 81.12 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 119.389 -0.673 . . . . 0.0 112.696 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -118.58 -5.67 10.72 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.049 0.924 . . . . 0.0 112.057 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.59 -51.87 77.85 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.955 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -66.94 -22.75 47.97 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 121.677 1.585 . . . . 0.0 112.05 -174.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.44 -32.84 23.85 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 118.046 0.384 . . . . 0.0 110.77 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.8 t -81.02 -29.26 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 122.492 0.317 . . . . 0.0 110.318 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 37.9 t -71.02 -39.16 74.5 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -72.41 -26.1 61.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.522 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -78.98 -23.67 44.33 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.66 -29.02 45.49 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.263 0.225 . . . . 0.0 111.168 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -83.02 -34.91 26.18 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 117.951 0.341 . . . . 0.0 110.982 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.08 -27.74 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 118.565 0.62 . . . . 0.0 109.97 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -74.83 -32.71 62.01 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.17 -34.44 63.8 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -61.41 -37.99 85.46 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 122.081 -0.387 . . . . 0.0 111.63 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -89.8 -9.39 49.38 Favored 'General case' 0 C--N 1.335 -0.059 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.57 -6.64 14.83 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.8 tt -74.16 -19.13 60.66 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 123.149 0.58 . . . . 0.0 111.115 -177.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -71.18 -7.43 46.66 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 122.216 -0.303 . . . . 0.0 110.682 176.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -114.89 8.47 15.95 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.925 0.89 . . . . 0.0 111.017 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -66.07 131.39 46.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -99.44 -19.88 16.73 Favored 'General case' 0 N--CA 1.46 0.048 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -175.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.5 21.27 75.47 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -69.0 -7.58 36.78 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 117.435 0.618 . . . . 0.0 111.007 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.46 ' HG ' HG21 ' A' ' 72' ' ' THR . 40.2 t -156.49 171.85 19.56 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.308 1.043 . . . . 0.0 109.061 177.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.16 154.23 16.48 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -63.37 -35.1 79.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.872 -0.518 . . . . 0.0 112.041 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -73.26 -21.76 60.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.553 0.615 . . . . 0.0 111.282 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.46 HG21 ' HG ' ' A' ' 68' ' ' SER . 34.6 m -72.46 -31.07 65.14 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.921 -0.487 . . . . 0.0 109.768 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -82.07 -30.14 31.48 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.905 0.482 . . . . 0.0 110.217 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 tt -73.47 -39.83 64.6 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -63.14 -38.54 91.59 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.53 0.732 . . . . 0.0 109.716 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -68.23 -37.09 80.46 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.807 0.843 . . . . 0.0 110.66 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.1 mt -77.06 -35.62 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.24 76.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.228 0.467 . . . . 0.0 111.842 -175.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.6 p -73.92 -32.86 35.06 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 CA-C-N 118.136 0.426 . . . . 0.0 110.137 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -81.52 -16.78 50.72 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 119.569 -0.253 . . . . 0.0 111.371 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.7 m -84.99 -38.89 18.71 Favored 'General case' 0 N--CA 1.458 -0.048 0 CA-C-N 118.392 0.542 . . . . 0.0 109.902 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.42 -28.97 62.28 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 122.334 -0.229 . . . . 0.0 111.163 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -83.07 -30.76 27.74 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.987 0.358 . . . . 0.0 110.762 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -72.24 -22.45 61.24 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -73.9 -31.48 63.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.88 -0.513 . . . . 0.0 110.466 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.06 -22.99 63.99 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.986 -0.446 . . . . 0.0 111.785 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m -101.67 -14.73 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.105 0 CA-C-N 117.922 0.328 . . . . 0.0 111.759 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.09 -25.54 55.58 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 118.306 0.503 . . . . 0.0 112.25 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -118.96 -13.31 9.45 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 117.695 0.225 . . . . 0.0 110.619 173.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.74 -12.65 83.33 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -103.04 9.18 38.7 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 117.434 0.617 . . . . 0.0 111.487 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -132.54 8.99 4.27 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.742 0.817 . . . . 0.0 111.105 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.07 36.56 1.25 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.241 0.616 . . . . 0.0 110.18 -178.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -133.16 164.02 27.98 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.044 0.538 . . . . 0.0 110.658 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.4 tp 54.06 29.76 10.81 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.702 0.801 . . . . 0.0 111.557 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--O 1.251 1.147 0 CA-C-O 117.253 -1.356 . . . . 0.0 110.418 -179.549 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 1 O4'-C1'-N19 112.022 5.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.816 0 O4'-C1'-N19 110.508 3.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.304 1 O4'-C1'-N19 111.731 4.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.55 0 O4'-C4'-C3' 109.029 3.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 0 O4'-C1'-N19 109.792 2.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.718 1 O4'-C1'-N19 111.308 4.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.559 1 P-O3'-C3' 125.579 4.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.3 tpp . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -147.4 162.92 38.03 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.131 0.572 . . . . 0.0 110.404 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -150.98 169.24 22.25 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.819 0.448 . . . . 0.0 110.988 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 57.89 171.51 0.05 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.677 1.591 . . . . 0.0 113.557 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mp -130.47 24.41 5.13 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.026 0.93 . . . . 0.0 109.98 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.5 p -67.53 177.8 1.84 Allowed 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.495 0.718 . . . . 0.0 111.287 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.47 -15.39 37.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.732 0.413 . . . . 0.0 112.11 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -68.65 -47.57 66.24 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.211 0.46 . . . . 0.0 110.879 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.1 p -83.48 -25.1 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 O-C-N 122.443 -0.16 . . . . 0.0 110.587 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.0 tp -72.68 -28.45 62.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.0 t -78.02 -30.75 16.29 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.38 -30.25 68.2 Favored 'General case' 0 C--N 1.339 0.116 0 O-C-N 121.724 -0.61 . . . . 0.0 110.275 174.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -76.66 -30.75 56.93 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 111.655 0.242 . . . . 0.0 111.655 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.8 t -75.85 -35.78 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.057 0 O-C-N 121.993 -0.442 . . . . 0.0 111.28 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -75.19 -15.29 60.57 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.493 0.588 . . . . 0.0 111.123 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -77.5 1.62 18.78 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.668 0.387 . . . . 0.0 111.408 170.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.67 5.45 53.85 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.347 -0.696 . . . . 0.0 113.785 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -81.7 110.89 17.46 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.666 1.233 . . . . 0.0 110.03 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.9 tm0? -80.58 -26.82 37.67 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 122.373 -0.204 . . . . 0.0 110.936 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.578 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.0 mmpt? -73.71 -31.11 63.23 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 122.006 -0.434 . . . . 0.0 109.956 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.66 -27.01 67.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -75.97 -31.85 59.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -62.93 -35.62 80.71 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 121.915 -0.49 . . . . 0.0 110.205 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.09 -31.26 65.91 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.8 tp -71.45 -31.34 67.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.2 t -70.14 -41.17 78.94 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.4 t -66.12 -24.42 33.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 118.012 0.369 . . . . 0.0 110.613 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -74.67 -32.48 62.23 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 117.936 0.335 . . . . 0.0 111.59 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -115.38 -3.64 12.42 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -58.51 -32.92 69.27 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.602 1.092 . . . . 0.0 112.893 -173.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -87.18 -24.94 24.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.49 0.586 . . . . 0.0 111.101 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -81.5 -35.45 30.4 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.542 0.337 . . . . 0.0 110.217 -177.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.3 p -79.09 -30.56 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.29 -29.26 68.0 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.165 -0.334 . . . . 0.0 110.367 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.1 m -78.71 -22.37 46.75 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.287 -0.258 . . . . 0.0 110.76 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.7 tp -81.71 -44.66 16.78 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.253 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.1 m -76.76 -21.32 14.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.728 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -62.1 -16.01 49.35 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.349 0.26 . . . . 0.0 110.834 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -82.73 -6.57 59.47 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 122.154 -0.341 . . . . 0.0 111.551 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -126.91 -14.76 5.53 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.3 m -136.01 154.99 77.97 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 118.838 0.745 . . . . 0.0 111.301 176.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -59.27 157.06 32.04 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.486 2.791 . . . . 0.0 111.015 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.0 p -63.24 -18.29 63.38 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.52 -11.94 84.77 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-O 119.398 -0.668 . . . . 0.0 112.038 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -117.3 -5.76 11.3 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.109 0.954 . . . . 0.0 111.886 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.406 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 49.5 t -57.78 -51.53 81.08 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.932 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 59.5 Cg_endo -66.11 -23.38 53.27 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 121.396 1.397 . . . . 0.0 112.313 -174.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -83.32 -31.99 26.55 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.235 0.47 . . . . 0.0 110.513 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.0 t -81.99 -27.08 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 122.44 0.296 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.95 -36.42 51.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.89 -21.68 60.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 117.78 0.264 . . . . 0.0 110.731 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -84.79 -21.39 29.95 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.758 -0.589 . . . . 0.0 110.32 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.04 -35.04 29.18 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.316 0.246 . . . . 0.0 111.277 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -80.02 -33.53 39.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 118.089 0.404 . . . . 0.0 110.999 177.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.71 -29.47 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 O-C-N 121.932 -0.48 . . . . 0.0 109.855 -178.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -75.02 -32.03 61.51 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.5 -36.72 68.44 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 176.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -62.14 -36.45 81.84 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.038 0.381 . . . . 0.0 111.606 -177.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -89.75 -8.11 52.97 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.96 -3.25 13.39 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -75.13 -21.27 58.95 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.279 0.632 . . . . 0.0 111.363 -177.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -70.74 -10.49 59.57 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 122.145 -0.347 . . . . 0.0 110.124 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.7 m -110.19 12.0 23.49 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.004 0.921 . . . . 0.0 111.065 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -66.6 135.05 53.55 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -99.56 -18.21 17.48 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 122.728 0.411 . . . . 0.0 111.856 -174.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.29 19.08 79.89 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -69.01 -9.57 53.13 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.043 0.537 . . . . 0.0 111.144 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.1 t -157.94 173.71 16.35 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.663 0.785 . . . . 0.0 109.314 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.03 155.12 11.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -64.34 -31.82 73.18 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -172.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -75.65 -22.23 56.95 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.645 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.9 m -66.65 -33.97 76.84 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -81.69 -34.74 30.48 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.705 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.5 -34.99 72.96 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -63.56 -41.46 98.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.103 0.561 . . . . 0.0 110.289 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -68.36 -36.83 79.79 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 117.741 0.246 . . . . 0.0 110.579 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.7 mt -71.54 -36.18 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.48 -39.58 77.58 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 117.946 0.339 . . . . 0.0 111.868 -175.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.62 -33.26 31.5 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.096 0 CA-C-N 118.412 0.551 . . . . 0.0 110.372 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -80.22 -16.91 53.72 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.458 -0.151 . . . . 0.0 111.056 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.3 m -82.94 -40.28 20.31 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 174.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.55 -30.47 61.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 122.216 -0.303 . . . . 0.0 110.953 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -80.63 -32.42 36.28 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.096 -0.377 . . . . 0.0 110.947 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -76.24 -17.08 59.66 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.24 -0.288 . . . . 0.0 110.26 177.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -75.03 -32.05 61.49 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.371 0.268 . . . . 0.0 110.7 175.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.81 -33.81 68.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.205 -0.31 . . . . 0.0 111.383 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 p -86.63 -22.85 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.068 0 CA-C-N 117.556 0.162 . . . . 0.0 110.864 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.11 -19.69 62.42 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 122.329 -0.232 . . . . 0.0 110.877 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -106.5 -21.98 12.91 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 122.783 0.433 . . . . 0.0 111.124 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.22 -12.48 80.69 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-O 119.667 -0.518 . . . . 0.0 112.544 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -111.91 2.6 17.06 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 117.86 0.83 . . . . 0.0 111.291 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -69.54 -12.91 62.03 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.353 0.661 . . . . 0.0 111.826 -176.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 26.8 tp -117.79 2.59 12.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.655 0.782 . . . . 0.0 110.867 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -114.46 4.41 15.26 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.188 0.595 . . . . 0.0 111.236 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.3 mt -126.18 14.39 7.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.71 0.804 . . . . 0.0 110.883 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.8 p . . . . . 0 C--O 1.25 1.113 0 CA-C-O 117.33 -1.319 . . . . 0.0 110.258 -178.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.942 1 O4'-C1'-N19 112.49 5.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.474 1 O4'-C1'-N19 111.908 5.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.459 1 P-O3'-C3' 125.097 4.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.605 0 O4'-C4'-C3' 109.133 3.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.256 0 O4'-C1'-N19 109.937 2.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.47 1 O4'-C1'-N19 111.585 4.731 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.646 1 O4'-C1'-N19 111.265 4.331 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 110.621 -0.141 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.4 p -149.23 169.09 21.55 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 122.824 0.449 . . . . 0.0 110.785 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -101.52 16.12 26.7 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.568 0.747 . . . . 0.0 111.305 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 59.53 170.23 0.07 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.162 1.385 . . . . 0.0 113.038 -176.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 mp -91.94 63.82 4.57 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.959 0.503 . . . . 0.0 110.36 -176.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.4 p -73.53 -179.76 3.67 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.361 0.664 . . . . 0.0 110.613 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -61.21 -14.86 28.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 121.789 -0.569 . . . . 0.0 111.65 178.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -69.8 -44.68 69.54 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 118.291 0.496 . . . . 0.0 110.901 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 m -83.83 -23.65 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.467 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.8 tp -74.28 -30.08 61.94 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.4 t -76.16 -35.47 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.087 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -72.46 -25.23 61.36 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.159 -0.338 . . . . 0.0 110.388 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -75.27 -29.99 60.32 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.658 0.383 . . . . 0.0 110.626 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.03 -28.52 21.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 175.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -72.59 -15.87 61.74 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.223 -0.298 . . . . 0.0 110.529 176.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -83.63 4.0 30.36 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.778 0.431 . . . . 0.0 111.096 172.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.21 7.16 64.13 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 119.453 -0.637 . . . . 0.0 113.063 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -79.42 108.83 13.23 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 118.088 0.944 . . . . 0.0 110.153 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -80.18 -27.51 38.9 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.604 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -71.29 -30.77 66.65 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -28.58 68.37 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -74.22 -30.21 62.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.255 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -64.89 -36.57 84.78 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.181 -0.324 . . . . 0.0 110.29 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.22 -25.08 60.6 Favored 'General case' 0 C--O 1.232 0.157 0 O-C-N 122.09 -0.381 . . . . 0.0 110.466 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.1 tp -75.72 -28.45 58.56 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -73.29 -44.36 55.31 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.119 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.0 t -64.71 -23.8 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-N 117.795 0.27 . . . . 0.0 110.63 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -73.15 -37.71 66.5 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.102 0.561 . . . . 0.0 111.657 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -114.43 -0.82 13.65 Favored 'General case' 0 CA--C 1.527 0.08 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -175.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -58.82 -33.77 70.77 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.551 1.069 . . . . 0.0 112.788 -174.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -86.18 -24.24 26.21 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.46 0.573 . . . . 0.0 111.08 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -83.72 -34.17 24.95 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.211 0.205 . . . . 0.0 110.628 -177.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.89 -29.25 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.01 76.7 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 122.23 -0.293 . . . . 0.0 110.555 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.2 m -72.95 -22.08 60.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 117.545 0.157 . . . . 0.0 110.92 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.9 tp -81.26 -42.84 20.07 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 119.384 -0.341 . . . . 0.0 111.566 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.3 m -81.47 -18.65 11.47 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 CA-C-N 118.822 0.737 . . . . 0.0 111.552 -177.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -60.73 -15.85 33.62 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 118.026 0.375 . . . . 0.0 110.746 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -80.23 -11.14 59.76 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 123.03 0.532 . . . . 0.0 111.318 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -126.94 -15.73 5.29 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -174.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.75 155.24 79.58 Favored Pre-proline 0 C--O 1.231 0.1 0 CA-C-N 119.095 0.862 . . . . 0.0 111.439 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.91 156.54 38.04 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 123.473 2.782 . . . . 0.0 110.967 174.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.1 t -59.94 -20.98 60.48 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.393 0.277 . . . . 0.0 111.714 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.42 -12.94 84.07 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 119.403 -0.665 . . . . 0.0 112.418 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -117.86 -3.89 11.16 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.145 0.972 . . . . 0.0 112.106 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.4 t -58.35 -52.06 77.34 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.444 178.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -67.77 -22.39 43.34 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 121.569 1.513 . . . . 0.0 111.929 -175.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -83.17 -33.11 26.27 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 117.956 0.344 . . . . 0.0 110.726 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.8 t -82.08 -29.14 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 122.66 0.384 . . . . 0.0 110.617 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 t -69.56 -38.05 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -72.34 -30.31 64.62 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.173 -178.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -75.54 -21.74 57.66 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 122.077 -0.389 . . . . 0.0 110.25 176.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.8 -29.79 35.98 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 119.493 -0.289 . . . . 0.0 111.39 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -83.56 -35.27 24.89 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 118.244 0.474 . . . . 0.0 111.135 177.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.51 -29.53 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 118.639 0.654 . . . . 0.0 109.739 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -74.5 -37.19 63.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.598 174.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.6 -32.68 74.44 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -64.89 -38.4 90.86 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 121.935 -0.478 . . . . 0.0 111.175 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -91.79 -5.39 53.58 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.89 -12.38 14.58 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 117.986 0.357 . . . . 0.0 111.378 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 tt -74.97 -19.7 59.98 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.593 0.757 . . . . 0.0 111.155 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -71.78 -8.09 52.14 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.8 t -114.88 2.74 14.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.864 0.865 . . . . 0.0 110.748 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -65.57 130.69 44.18 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 83.1 mtm-85 -99.63 -15.71 18.48 Favored 'General case' 0 C--N 1.338 0.072 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -174.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.2 22.08 71.82 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -69.27 -8.09 42.83 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.596 0.759 . . . . 0.0 111.168 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.417 ' HG ' HG22 ' A' ' 72' ' ' THR . 45.8 t -156.79 173.4 17.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.112 0.965 . . . . 0.0 109.21 176.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.92 153.29 17.66 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.25 -34.85 78.56 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.862 -0.524 . . . . 0.0 111.893 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -73.52 -23.31 59.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.488 0.585 . . . . 0.0 111.417 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.417 HG22 ' HG ' ' A' ' 68' ' ' SER . 22.2 m -66.84 -35.27 79.67 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -82.0 -32.79 30.4 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.371 0.669 . . . . 0.0 110.934 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.73 -38.83 73.59 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -61.84 -38.56 88.68 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.029 0.532 . . . . 0.0 109.635 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -69.84 -32.87 71.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 119.596 -0.24 . . . . 0.0 111.381 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.548 HG12 ' C5 ' ' B' ' 3' ' ' ' DT' . 64.7 mt -77.27 -36.93 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 CA-C-N 118.138 0.427 . . . . 0.0 110.168 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.65 -36.08 70.57 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 117.994 0.361 . . . . 0.0 111.775 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.0 p -76.07 -34.13 26.1 Favored 'Isoleucine or valine' 0 C--N 1.338 0.07 0 CA-C-N 118.133 0.424 . . . . 0.0 110.602 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.42 -17.13 43.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.2 m -87.14 -38.27 16.59 Favored 'General case' 0 C--N 1.335 -0.051 0 CA-C-N 118.571 0.623 . . . . 0.0 110.085 175.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.17 -28.44 64.25 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 122.054 -0.404 . . . . 0.0 111.024 177.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -83.64 -31.05 26.41 Favored 'General case' 0 C--O 1.232 0.184 0 O-C-N 122.097 -0.377 . . . . 0.0 110.923 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -72.37 -21.19 61.33 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 176.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -72.84 -33.65 66.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.069 -0.394 . . . . 0.0 110.654 176.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.79 -29.58 66.92 Favored 'General case' 0 N--CA 1.456 -0.138 0 O-C-N 122.185 -0.322 . . . . 0.0 111.83 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m -91.0 -15.07 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.067 0 CA-C-N 118.085 0.402 . . . . 0.0 111.27 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.14 -17.31 60.44 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.006 0.123 . . . . 0.0 111.056 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -118.52 -19.62 8.72 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.504 0.322 . . . . 0.0 110.898 176.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -83.74 -11.48 79.45 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.936 -0.466 . . . . 0.0 111.936 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -140.39 159.87 41.24 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.598 0.759 . . . . 0.0 110.002 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 55.45 10.88 0.52 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.098 1.359 . . . . 0.0 112.829 -177.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.8 tp -149.83 -0.22 0.46 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.775 1.23 . . . . 0.0 109.374 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -148.5 153.62 38.7 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.111 0.964 . . . . 0.0 109.348 -175.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.3 tp -136.52 -6.47 1.98 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.104 0.562 . . . . 0.0 111.334 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 C--O 1.252 1.198 0 CA-C-O 117.522 -1.227 . . . . 0.0 110.068 -178.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.801 1 O4'-C1'-N19 111.46 4.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.585 " H1'" ' C6 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.421 -2.291 1 O4'-C1'-N19 112.914 6.393 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.585 ' C6 ' " H1'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.419 -2.468 0 O4'-C1'-N19 110.67 3.588 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.307 0 O4'-C4'-C3' 109.466 3.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.6 0 O4'-C1'-N19 109.839 2.549 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.388 1 O4'-C1'-N19 111.913 5.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.7 1 O4'-C1'-N19 111.026 4.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -148.89 157.75 43.66 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.247 0.619 . . . . 0.0 109.735 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -151.34 164.08 37.47 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.801 0.441 . . . . 0.0 110.847 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -139.62 155.58 47.35 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 mp -88.57 45.05 1.25 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.43 0.692 . . . . 0.0 111.036 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.3 p -68.63 172.42 6.29 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.053 0.454 . . . . 0.0 110.687 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -65.66 -16.74 64.03 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 122.035 -0.415 . . . . 0.0 111.36 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -72.33 -42.92 64.84 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.906 -0.496 . . . . 0.0 111.003 -177.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.0 p -83.36 -24.4 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.7 tp -80.3 -30.43 38.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 122.343 -0.223 . . . . 0.0 110.465 -177.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.51 -39.18 40.32 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.056 0 O-C-N 122.214 -0.303 . . . . 0.0 110.805 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.9 -23.96 60.78 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.807 0.73 . . . . 0.0 110.598 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -72.95 -29.65 63.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 122.083 -0.386 . . . . 0.0 110.323 177.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.37 -26.02 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 O-C-N 122.128 -0.358 . . . . 0.0 110.18 174.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -71.13 -15.86 62.52 Favored 'General case' 0 C--N 1.34 0.173 0 O-C-N 121.98 -0.45 . . . . 0.0 110.332 175.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -82.79 3.59 28.8 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.665 0.386 . . . . 0.0 111.09 171.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.01 11.31 73.48 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.921 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -78.6 117.1 19.45 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 118.159 0.98 . . . . 0.0 110.628 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.441 HE21 ' HA ' ' A' ' 19' ' ' GLN . 3.0 mm-40 -80.0 -21.77 43.24 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.657 0.383 . . . . 0.0 111.986 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -76.17 -29.86 57.88 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.97 -30.74 65.58 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.328 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -80.62 -35.78 33.58 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.596 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -61.46 -34.63 75.78 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 122.001 -0.437 . . . . 0.0 110.384 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mp -76.86 -28.25 55.37 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.377 0.271 . . . . 0.0 110.528 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.6 tp -73.73 -28.61 61.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.576 0.35 . . . . 0.0 110.114 175.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -72.68 -46.07 55.41 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.24 -23.69 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 117.884 0.311 . . . . 0.0 110.437 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -73.7 -36.36 65.25 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.565 0.346 . . . . 0.0 111.654 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -115.03 0.26 13.6 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -175.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -60.98 -30.34 70.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 119.536 1.062 . . . . 0.0 113.135 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -82.93 -29.44 29.14 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.534 0.607 . . . . 0.0 110.445 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.668 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 8.2 tmtt? -72.25 -46.14 57.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.42 0.688 . . . . 0.0 110.943 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.38 -31.36 38.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.167 -177.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.73 -27.46 65.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 117.885 0.312 . . . . 0.0 110.389 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.7 m -80.46 -22.21 41.3 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.564 0.346 . . . . 0.0 110.356 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.0 tp -85.26 -42.22 14.85 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.832 0.453 . . . . 0.0 111.33 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 m -79.04 -21.29 12.69 Favored 'Isoleucine or valine' 0 C--N 1.338 0.094 0 CA-C-N 118.653 0.66 . . . . 0.0 110.543 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -60.84 -15.88 35.16 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 122.223 -0.298 . . . . 0.0 110.771 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -80.0 -10.94 59.81 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 122.807 0.443 . . . . 0.0 111.501 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -127.07 -14.34 5.52 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -176.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -137.77 153.6 74.05 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-N 118.388 0.54 . . . . 0.0 110.657 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.81 161.97 43.88 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.648 2.899 . . . . 0.0 110.157 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.2 p -60.14 -18.02 44.63 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 123.183 0.593 . . . . 0.0 112.551 -175.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.02 -15.85 81.1 Favored Glycine 0 CA--C 1.528 0.866 0 CA-C-O 119.575 -0.569 . . . . 0.0 112.508 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -118.73 -5.91 10.64 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 117.911 0.855 . . . . 0.0 111.982 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.413 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 53.8 t -56.99 -50.71 86.65 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.792 179.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.4 Cg_endo -67.44 -22.02 45.91 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 121.566 1.511 . . . . 0.0 111.876 -175.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.59 -33.79 23.29 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 122.113 -0.367 . . . . 0.0 110.624 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 78.6 t -80.13 -30.48 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.692 0.397 . . . . 0.0 110.162 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.6 t -70.3 -37.04 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -71.56 -28.41 63.83 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 121.126 -0.229 . . . . 0.0 110.748 -177.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -80.4 -27.73 38.02 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 117.878 0.308 . . . . 0.0 110.409 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.67 -32.3 72.03 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.054 -0.404 . . . . 0.0 111.046 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -84.56 -34.93 23.13 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 117.964 0.347 . . . . 0.0 111.351 176.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -74.36 -28.81 23.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 O-C-N 121.593 -0.692 . . . . 0.0 110.184 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -73.45 -34.21 65.28 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.47 -32.89 64.57 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 176.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -62.34 -40.61 96.93 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 118.395 0.543 . . . . 0.0 111.557 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -90.27 -7.08 54.34 Favored 'General case' 0 C--O 1.23 0.076 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.93 -7.51 18.13 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 175.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 tt -75.61 -18.88 59.57 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.446 0.698 . . . . 0.0 110.46 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.77 -8.47 56.13 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.481 0.313 . . . . 0.0 110.308 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.1 m -114.92 8.07 15.81 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.085 0.954 . . . . 0.0 111.168 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -68.4 130.54 43.2 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.1 mtm-85 -99.29 -16.11 18.6 Favored 'General case' 0 C--O 1.231 0.091 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -175.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.64 21.68 74.21 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -65.77 -10.37 36.72 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.995 0.518 . . . . 0.0 110.743 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.0 t -156.32 174.86 14.79 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.605 1.162 . . . . 0.0 108.528 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.97 154.54 18.68 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -62.87 -32.49 73.74 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.104 -0.373 . . . . 0.0 111.746 -175.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.668 ' CZ ' ' HE3' ' A' ' 32' ' ' LYS . 62.3 t80 -68.81 -28.99 67.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 122.104 -0.372 . . . . 0.0 110.903 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.2 m -67.45 -34.87 78.07 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -82.64 -31.79 28.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.442 0.697 . . . . 0.0 111.276 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -38.98 72.3 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -66.57 -39.61 88.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.9 tpp85 -69.22 -31.8 70.62 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 123.172 0.589 . . . . 0.0 111.475 -176.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.8 mt -76.53 -36.09 27.42 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.114 0 CA-C-N 117.983 0.356 . . . . 0.0 110.091 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.81 -39.64 83.96 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.123 0.42 . . . . 0.0 111.844 -175.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.3 p -73.98 -32.81 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 117.855 0.298 . . . . 0.0 110.452 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -83.04 -17.55 42.89 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 119.382 -0.342 . . . . 0.0 111.74 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.4 m -82.0 -38.87 24.42 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 118.819 0.736 . . . . 0.0 109.794 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.9 -28.31 62.4 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 122.359 -0.213 . . . . 0.0 110.844 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -83.01 -31.35 27.51 Favored 'General case' 0 C--O 1.231 0.09 0 O-C-N 122.197 -0.314 . . . . 0.0 110.867 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -74.53 -19.48 60.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -73.55 -33.48 64.72 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.102 -0.374 . . . . 0.0 110.769 175.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.5 mt -71.29 -26.85 63.04 Favored 'General case' 0 CA--C 1.528 0.121 0 O-C-N 122.063 -0.398 . . . . 0.0 111.595 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.5 m -92.35 -15.2 8.23 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.112 0 CA-C-N 118.189 0.45 . . . . 0.0 111.24 176.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.87 -20.11 63.41 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -110.8 -19.05 12.97 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.953 0.501 . . . . 0.0 110.824 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.69 -8.86 86.33 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 112.106 -0.397 . . . . 0.0 112.106 177.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -118.67 12.82 13.19 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.779 0.832 . . . . 0.0 111.076 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -61.48 124.0 19.42 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -177.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 87.0 mt 54.79 19.5 2.59 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.588 1.155 . . . . 0.0 113.703 -177.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -88.69 -9.63 51.32 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-N 118.375 0.534 . . . . 0.0 111.055 176.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 tp 54.72 25.31 6.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.374 1.07 . . . . 0.0 113.057 178.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.25 1.086 0 CA-C-O 117.251 -1.357 . . . . 0.0 110.935 178.161 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.901 1 O4'-C1'-N19 113.338 6.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.328 1 O4'-C1'-N19 111.162 4.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.446 0 O4'-C1'-N19 110.361 3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.516 0 O4'-C4'-C3' 109.214 3.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.911 0 O4'-C1'-N19 109.937 2.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.524 1 O4'-C1'-N19 112.273 5.592 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.599 0 O4'-C1'-N19 110.888 3.859 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 m 59.25 163.02 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.711 1.205 . . . . 0.0 112.969 -175.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 45.43 23.23 0.12 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.286 1.435 . . . . 0.0 113.825 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -143.36 162.79 34.8 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.746 0.818 . . . . 0.0 109.9 -177.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mp -115.27 25.76 10.61 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.618 0.767 . . . . 0.0 110.321 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.9 p -66.49 177.47 1.53 Allowed 'General case' 0 C--O 1.231 0.101 0 C-N-CA 123.352 0.661 . . . . 0.0 111.261 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.6 -16.88 58.74 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.884 0.474 . . . . 0.0 111.979 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -66.42 -45.41 80.0 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 121.747 -0.596 . . . . 0.0 110.737 -177.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 p -84.01 -25.54 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 CA-C-N 116.92 -0.127 . . . . 0.0 110.878 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.0 tp -78.55 -29.57 46.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.463 -0.148 . . . . 0.0 110.851 -178.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.2 t -75.0 -40.2 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 O-C-N 122.107 -0.37 . . . . 0.0 110.379 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.74 -21.52 61.01 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.788 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -71.89 -31.76 66.74 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 117.835 0.289 . . . . 0.0 110.327 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -73.61 -28.01 24.15 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.027 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 175.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -71.7 -15.36 62.2 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 121.986 -0.446 . . . . 0.0 110.834 176.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -85.64 3.77 39.38 Favored 'General case' 0 C--N 1.339 0.121 0 C-N-CA 122.926 0.49 . . . . 0.0 111.127 173.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.87 7.96 62.3 Favored Glycine 0 C--N 1.339 0.746 0 C-N-CA 123.538 0.59 . . . . 0.0 112.859 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -79.66 110.03 14.62 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.328 1.064 . . . . 0.0 109.927 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -80.12 -27.89 39.07 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 122.448 -0.157 . . . . 0.0 110.683 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.607 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -71.5 -31.2 66.82 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.44 -28.63 68.75 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.63 -30.71 61.74 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -65.14 -34.59 78.76 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 121.989 -0.445 . . . . 0.0 110.37 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.51 -26.03 57.75 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.26 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.5 tp -76.36 -31.03 57.84 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.2 t -68.2 -48.66 72.8 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.09 -23.89 29.44 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 CA-C-N 117.825 0.284 . . . . 0.0 110.619 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -69.66 -30.94 68.74 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.39 0.276 . . . . 0.0 111.025 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -114.48 -0.32 13.77 Favored 'General case' 0 C--O 1.227 -0.115 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -58.35 -39.71 80.24 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.608 0.64 . . . . 0.0 112.147 -173.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -83.1 -23.15 33.18 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 122.028 -0.42 . . . . 0.0 110.888 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -84.97 -32.62 22.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.46 0.171 . . . . 0.0 110.873 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.0 p -80.43 -28.33 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.77 -27.31 64.82 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.4 m -78.3 -21.44 49.69 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.886 0.474 . . . . 0.0 110.904 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -84.28 -44.46 13.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 119.35 -0.357 . . . . 0.0 111.781 177.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 m -79.01 -22.17 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-N 118.824 0.738 . . . . 0.0 111.697 -176.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.2 p -62.13 -15.44 45.75 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.043 0.383 . . . . 0.0 111.111 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -78.7 -9.42 59.41 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.471 0.708 . . . . 0.0 111.277 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.407 ' CE2' HG22 ' A' ' 79' ' ' VAL . 52.2 m-85 -126.94 -16.64 5.08 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -177.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.7 m -135.11 153.11 78.14 Favored Pre-proline 0 C--N 1.34 0.163 0 CA-C-N 118.295 0.498 . . . . 0.0 110.425 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -70.26 161.43 46.01 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.294 2.663 . . . . 0.0 109.698 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.6 m -59.28 -16.05 19.34 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.316 0.646 . . . . 0.0 112.695 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.55 -14.98 81.54 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.516 -0.602 . . . . 0.0 112.464 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -118.69 -6.48 10.63 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 117.865 0.833 . . . . 0.0 112.098 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.405 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 57.4 t -56.09 -51.02 83.97 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-O 118.283 -0.865 . . . . 0.0 112.162 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 65.3 Cg_endo -67.8 -21.81 44.01 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.586 1.524 . . . . 0.0 112.13 -174.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -85.76 -30.93 22.67 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.1 0.409 . . . . 0.0 110.674 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.4 t -81.76 -29.97 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.4 t -70.94 -38.24 71.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -72.79 -27.58 62.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.252 -177.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -78.31 -23.04 47.27 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 122.05 -0.406 . . . . 0.0 110.384 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.32 -28.08 42.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 119.478 -0.296 . . . . 0.0 111.488 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -84.37 -33.39 23.82 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 118.133 0.424 . . . . 0.0 110.979 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.45 -27.55 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 CA-C-N 118.762 0.71 . . . . 0.0 109.714 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -72.98 -34.98 66.79 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 173.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.54 -38.01 74.12 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -61.76 -38.85 89.54 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.029 0.377 . . . . 0.0 111.692 -177.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -87.9 -5.19 58.7 Favored 'General case' 0 C--N 1.339 0.12 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -177.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.62 -4.36 10.78 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 tt -74.17 -19.75 60.45 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.672 -0.642 . . . . 0.0 111.174 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -74.65 -5.41 42.92 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.16 -0.337 . . . . 0.0 110.814 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.2 m -114.66 6.19 15.61 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.159 0.984 . . . . 0.0 110.951 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -66.92 130.31 42.73 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -99.55 -17.15 18.0 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.67 22.65 69.1 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -66.44 -10.58 45.49 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.28 0.632 . . . . 0.0 110.648 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.0 t -156.38 172.79 17.89 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.298 1.039 . . . . 0.0 109.03 176.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.07 154.66 12.35 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.32 -33.06 74.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.824 -0.547 . . . . 0.0 112.041 -173.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -70.67 -22.59 62.46 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.816 0.735 . . . . 0.0 111.054 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.7 m -69.95 -35.03 74.18 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -82.46 -27.85 31.63 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.96 0.504 . . . . 0.0 110.93 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.14 -42.55 55.92 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.43 -40.06 89.68 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -65.07 -38.15 89.86 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.929 0.892 . . . . 0.0 110.995 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.4 mt -78.81 -35.81 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.84 -36.45 72.88 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 117.897 0.317 . . . . 0.0 111.714 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.407 HG22 ' CE2' ' A' ' 40' ' ' TYR . 10.4 p -77.42 -27.74 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 CA-C-N 118.129 0.422 . . . . 0.0 110.527 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.428 HD22 ' N2 ' ' B' ' 2' ' ' ' DG' . 42.5 t-20 -80.77 -28.8 36.28 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 178.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.4 m -76.17 -39.31 55.2 Favored 'General case' 0 N--CA 1.457 -0.086 0 O-C-N 121.957 -0.465 . . . . 0.0 110.32 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.55 -30.15 64.18 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 117.814 0.279 . . . . 0.0 110.964 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -82.46 -29.9 30.32 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.388 -0.195 . . . . 0.0 110.634 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -72.96 -22.82 60.64 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -71.99 -34.04 68.59 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.992 -0.443 . . . . 0.0 110.437 177.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.96 -27.92 66.16 Favored 'General case' 0 CA--C 1.527 0.094 0 O-C-N 122.22 -0.3 . . . . 0.0 111.495 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.0 m -94.99 -15.19 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 117.93 0.332 . . . . 0.0 111.53 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.45 -16.2 62.9 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 122.213 -0.305 . . . . 0.0 110.488 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -116.49 -9.74 11.38 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.761 0.424 . . . . 0.0 111.219 176.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -88.86 -18.95 53.32 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 112.021 -0.432 . . . . 0.0 112.021 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -154.7 175.13 14.07 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.798 0.839 . . . . 0.0 109.738 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 58.32 12.12 1.87 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.415 1.086 . . . . 0.0 112.048 -175.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 37.6 tp -148.88 -7.48 0.37 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.985 0.914 . . . . 0.0 110.078 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -106.84 3.45 26.38 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.561 0.745 . . . . 0.0 111.466 -176.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.5 tp -136.9 -2.9 2.06 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.046 0.538 . . . . 0.0 111.253 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--O 1.252 1.218 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.528 -178.709 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.676 1 O4'-C1'-N19 111.89 5.113 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.589 " H1'" ' C6 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.831 1 O4'-C1'-N19 112.956 6.445 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.589 ' C6 ' " H1'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.421 -2.279 1 O4'-C1'-N19 111.596 4.745 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.553 0 O4'-C4'-C3' 109.097 3.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.229 0 O4'-C1'-N19 109.992 2.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.37 1 O4'-C1'-N19 111.418 4.523 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.487 1 P-O3'-C3' 125.24 4.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.475 0.798 0 CA-C-O 120.398 0.142 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -149.84 162.65 39.88 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.969 0.508 . . . . 0.0 110.724 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -87.63 162.51 17.09 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.673 0.389 . . . . 0.0 110.921 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -139.29 167.68 21.52 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.611 0.764 . . . . 0.0 110.018 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.2 mp -80.35 82.93 6.28 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.6 p -72.22 168.66 17.79 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 123.256 0.622 . . . . 0.0 109.771 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.92 -16.95 62.67 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.192 -0.318 . . . . 0.0 111.04 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -75.95 -45.34 35.47 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 122.071 -0.393 . . . . 0.0 110.62 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.8 p -84.37 -26.16 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-N 118.007 0.367 . . . . 0.0 110.836 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.0 tp -73.02 -27.99 62.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.1 t -76.7 -36.48 27.09 Favored 'Isoleucine or valine' 0 C--N 1.338 0.092 0 CA-C-O 119.373 -0.346 . . . . 0.0 110.222 175.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -66.17 -30.13 70.54 Favored 'General case' 0 C--N 1.338 0.096 0 CA-C-N 118.659 0.663 . . . . 0.0 110.125 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -72.34 -31.28 65.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.09 0.156 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.72 -29.18 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 118.041 0.382 . . . . 0.0 110.025 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -72.15 -15.3 61.97 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 117.9 0.318 . . . . 0.0 110.931 176.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -83.91 3.84 32.19 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.823 0.449 . . . . 0.0 111.232 172.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.36 9.02 65.57 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.593 -0.559 . . . . 0.0 112.973 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -78.93 111.98 15.65 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 118.035 0.917 . . . . 0.0 109.889 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -80.22 -28.22 38.63 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.7 mmpt? -71.72 -28.51 63.73 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 -27.92 65.59 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.37 -33.41 37.23 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.449 -0.157 . . . . 0.0 110.884 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -64.73 -34.32 78.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mp -75.33 -28.41 59.61 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.763 0.425 . . . . 0.0 110.017 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 tp -72.45 -30.22 64.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.84 0.456 . . . . 0.0 110.091 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.0 -46.41 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.25 -23.66 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 117.607 0.185 . . . . 0.0 110.512 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -73.37 -36.32 66.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.781 0.432 . . . . 0.0 111.775 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -114.81 0.21 13.73 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -175.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -60.66 -29.42 69.28 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 119.229 0.922 . . . . 0.0 113.28 -174.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -86.04 -26.69 25.23 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.59 0.632 . . . . 0.0 110.408 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.739 ' HE2' ' CZ ' ' A' ' 71' ' ' TYR . 2.2 tmtm? -73.8 -43.91 57.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.768 0.827 . . . . 0.0 110.813 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.1 -31.62 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.982 -177.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.61 -28.43 67.73 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 117.992 0.36 . . . . 0.0 110.358 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.3 m -79.86 -22.19 43.21 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 122.641 0.376 . . . . 0.0 110.867 178.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 tp -83.9 -40.42 18.61 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.49 0.316 . . . . 0.0 111.581 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 m -80.86 -22.29 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 118.526 0.603 . . . . 0.0 111.16 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.2 m -60.88 -15.71 33.65 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 118.161 0.437 . . . . 0.0 111.127 175.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -79.76 -10.53 59.8 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.338 0.655 . . . . 0.0 111.306 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -126.72 -18.28 4.79 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.2 m -133.1 153.69 80.95 Favored Pre-proline 0 CA--C 1.528 0.114 0 CA-C-N 118.476 0.58 . . . . 0.0 110.621 177.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -70.41 160.96 47.75 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.586 2.857 . . . . 0.0 109.776 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.3 p -58.99 -17.98 29.94 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -174.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.19 -14.85 81.9 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-O 119.321 -0.71 . . . . 0.0 112.54 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -118.73 -7.52 10.5 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.23 1.015 . . . . 0.0 112.29 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.406 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 79.6 t -55.72 -51.49 79.83 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-O 118.305 -0.855 . . . . 0.0 111.926 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.0 Cg_endo -66.14 -24.57 51.59 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 121.386 1.391 . . . . 0.0 112.242 -174.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -85.27 -31.2 23.23 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.979 -0.45 . . . . 0.0 110.997 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.1 t -78.67 -29.18 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.5 t -71.44 -33.69 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -72.85 -27.98 62.26 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 119.737 -0.173 . . . . 0.0 111.021 -176.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -82.06 -26.82 33.36 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.389 0.54 . . . . 0.0 110.145 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.96 -34.63 76.94 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.988 -0.445 . . . . 0.0 111.129 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -84.58 -35.13 22.99 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.991 -0.443 . . . . 0.0 111.393 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.13 -30.08 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 118.62 0.646 . . . . 0.0 110.121 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HA ' ' HE ' ' A' ' 59' ' ' ARG . 56.4 tptt -73.17 -33.4 65.42 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.27 -32.13 64.48 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 119.618 -0.23 . . . . 0.0 110.487 176.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -64.98 -38.13 89.95 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.37 0.532 . . . . 0.0 111.404 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.4 ' HE ' ' HA ' ' A' ' 56' ' ' LYS . 25.3 ptt180 -91.93 -5.5 53.05 Favored 'General case' 0 C--N 1.338 0.105 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.34 -7.97 15.15 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.1 tt -74.76 -20.02 59.98 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.118 0.567 . . . . 0.0 110.872 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.45 -8.0 54.07 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.0 m -114.58 9.87 16.68 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.241 1.017 . . . . 0.0 110.839 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -67.37 131.89 46.61 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.0 mtm-85 -99.4 -16.83 18.26 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -174.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.21 19.5 79.64 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.713 -0.555 . . . . 0.0 111.713 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -66.17 -11.62 50.67 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.316 0.646 . . . . 0.0 110.809 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.442 ' HG ' HG22 ' A' ' 72' ' ' THR . 45.1 t -155.93 173.72 16.37 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.492 1.117 . . . . 0.0 108.946 177.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.72 154.61 21.14 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.64 -34.33 76.84 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 122.077 -0.389 . . . . 0.0 111.641 -175.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.739 ' CZ ' ' HE2' ' A' ' 32' ' ' LYS . 56.9 t80 -68.03 -31.38 71.02 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 117.594 0.179 . . . . 0.0 110.996 -177.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.442 HG22 ' HG ' ' A' ' 68' ' ' SER . 18.1 m -65.99 -34.7 78.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -82.03 -33.45 29.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.379 0.672 . . . . 0.0 110.748 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.92 -36.24 79.83 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -65.09 -42.99 93.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.613 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -65.67 -36.44 83.65 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.031 0.378 . . . . 0.0 111.896 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.8 mt -71.68 -34.76 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.134 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.87 -40.38 69.0 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 118.052 0.387 . . . . 0.0 111.946 -175.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.78 -31.23 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.052 0 CA-C-N 118.161 0.437 . . . . 0.0 110.156 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -83.01 -22.94 33.48 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.25 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.4 m -74.06 -39.58 63.4 Favored 'General case' 0 N--CA 1.458 -0.062 0 CA-C-N 118.795 0.725 . . . . 0.0 109.353 175.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.04 -29.49 60.79 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 122.055 0.142 . . . . 0.0 111.079 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -82.34 -31.71 29.69 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 122.012 -0.43 . . . . 0.0 110.789 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -73.85 -21.27 60.17 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 175.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -72.1 -31.38 66.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 119.712 -0.185 . . . . 0.0 110.96 176.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.24 -34.33 65.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 118.314 0.507 . . . . 0.0 111.735 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.7 m -79.65 -14.99 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.103 0 CA-C-N 118.088 0.404 . . . . 0.0 110.839 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.38 -19.81 60.9 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.026 0.13 . . . . 0.0 110.735 173.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -87.9 -25.47 23.22 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 117.791 0.268 . . . . 0.0 111.426 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -90.56 -4.22 70.65 Favored Glycine 0 CA--C 1.525 0.659 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.652 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -132.93 170.05 15.9 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.62 0.768 . . . . 0.0 109.938 -177.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 54.56 19.29 2.34 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.286 1.035 . . . . 0.0 113.146 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -149.63 32.9 0.7 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.199 0.523 . . . . 0.0 109.817 -177.196 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -131.4 6.86 4.5 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.622 0.769 . . . . 0.0 111.58 -178.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.5 tp -136.98 4.53 2.75 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.491 0.716 . . . . 0.0 110.646 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.3 p . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.058 -1.448 . . . . 0.0 110.063 -178.864 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.433 1 O4'-C1'-N19 111.981 5.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.502 1 O4'-C1'-N19 111.718 4.898 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.51 1 P-O3'-C3' 125.186 4.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.399 0 O4'-C4'-C3' 108.948 3.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.201 0 O4'-C1'-N19 110.111 2.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.504 1 O4'-C1'-N19 112.399 5.749 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.145 0 C5'-C4'-C3' 108.974 -3.817 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.564 -0.161 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -135.1 10.88 3.57 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.844 0.457 . . . . 0.0 111.364 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -80.21 160.73 25.51 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 122.067 -0.396 . . . . 0.0 110.586 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -90.08 153.86 20.23 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.544 0.338 . . . . 0.0 110.965 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.7 mp -90.97 73.42 6.45 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.4 p -65.1 168.3 6.84 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 122.748 0.419 . . . . 0.0 110.04 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -62.45 -17.27 59.05 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 122.124 -0.36 . . . . 0.0 111.682 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -75.55 -47.12 28.2 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.033 -0.417 . . . . 0.0 110.763 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.11 -28.17 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-N 117.636 0.198 . . . . 0.0 110.82 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp -70.32 -27.9 64.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.7 t -78.22 -36.83 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 O-C-N 122.321 -0.237 . . . . 0.0 110.461 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -67.05 -27.47 67.42 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 118.555 0.616 . . . . 0.0 110.147 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.5 ttm-85 -74.22 -31.9 62.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.04 0.536 . . . . 0.0 110.724 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.9 t -76.2 -29.02 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 175.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -70.9 -15.29 62.6 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.988 -0.445 . . . . 0.0 110.293 174.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -82.43 -0.66 47.2 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.221 0.608 . . . . 0.0 110.8 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.17 6.64 62.93 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 119.605 -0.553 . . . . 0.0 112.735 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -78.23 109.85 12.72 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.067 0.933 . . . . 0.0 109.701 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -80.34 -28.38 38.12 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.483 -0.136 . . . . 0.0 110.738 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.598 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -71.28 -30.79 66.71 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.11 68.77 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -74.19 -30.47 62.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.213 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -64.94 -36.43 84.36 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 122.07 -0.394 . . . . 0.0 110.379 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.3 -26.79 62.09 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.5 tp -75.75 -29.44 58.85 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.671 0.388 . . . . 0.0 110.057 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -72.51 -45.66 58.29 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.44 -23.63 33.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -75.82 -33.25 60.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 122.864 0.465 . . . . 0.0 111.976 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -114.76 -2.3 13.02 Favored 'General case' 0 C--N 1.337 0.056 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -60.27 -29.61 68.91 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.409 1.004 . . . . 0.0 112.703 -173.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -85.53 -28.51 24.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.521 0.6 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -80.46 -36.05 34.05 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.371 0.268 . . . . 0.0 110.68 -177.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.8 p -78.11 -29.95 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.61 -27.47 66.06 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.4 m -78.58 -22.24 47.43 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.185 0.194 . . . . 0.0 110.529 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.3 tp -84.16 -45.29 13.12 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.573 0.349 . . . . 0.0 111.587 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.3 m -76.39 -20.88 15.11 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.846 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.6 t -61.28 -16.03 41.35 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.094 -0.378 . . . . 0.0 110.76 176.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -79.41 -9.07 59.52 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.937 0.495 . . . . 0.0 111.607 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -126.93 -13.3 5.79 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -177.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -138.05 154.88 74.58 Favored Pre-proline 0 CA--C 1.529 0.142 0 CA-C-N 118.663 0.665 . . . . 0.0 111.251 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -58.88 156.43 33.27 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.654 2.902 . . . . 0.0 111.025 173.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.0 p -62.43 -17.68 59.93 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.15 -12.7 84.09 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.521 -0.6 . . . . 0.0 112.155 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -118.38 -4.27 10.9 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.077 0.939 . . . . 0.0 112.134 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.423 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 48.8 t -58.39 -50.16 89.59 Favored Pre-proline 0 C--N 1.34 0.183 0 CA-C-O 118.255 -0.879 . . . . 0.0 112.074 178.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.423 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 59.0 Cg_endo -66.37 -22.47 52.55 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.316 1.344 . . . . 0.0 112.032 -174.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -84.23 -32.03 24.7 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 118.112 0.415 . . . . 0.0 110.791 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.8 t -80.95 -27.96 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.2 t -72.52 -35.89 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -72.83 -21.7 60.92 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 117.754 0.252 . . . . 0.0 110.436 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -83.78 -20.74 32.77 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 121.702 -0.624 . . . . 0.0 110.206 175.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.95 -34.02 26.6 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 119.552 -0.261 . . . . 0.0 111.513 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -81.56 -31.99 32.41 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.098 0.408 . . . . 0.0 110.959 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.53 -30.17 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -73.32 -31.72 64.16 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.5 -31.76 60.3 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 119.481 -0.295 . . . . 0.0 110.679 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -63.77 -39.8 95.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.486 0.585 . . . . 0.0 111.409 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -92.09 -5.48 52.71 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.17 -4.52 16.48 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.0 tt -79.01 -17.39 55.44 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 122.898 0.479 . . . . 0.0 111.051 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -70.52 -11.36 60.87 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.072 -0.393 . . . . 0.0 111.232 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.5 p -114.99 8.43 15.81 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.459 0.703 . . . . 0.0 111.274 177.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -67.27 130.24 42.46 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.2 mtm-85 -99.41 -16.03 18.54 Favored 'General case' 0 CA--C 1.527 0.061 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -174.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.58 23.49 62.4 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.82 -9.4 44.15 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.104 0.562 . . . . 0.0 111.211 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.426 ' HG ' HG22 ' A' ' 72' ' ' THR . 44.1 t -157.21 172.91 17.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.09 0.956 . . . . 0.0 109.068 178.487 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.87 151.86 20.67 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 175.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.85 -33.5 75.4 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -172.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -75.17 -19.25 59.94 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 119.771 -0.772 . . . . 0.0 111.474 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.426 HG22 ' HG ' ' A' ' 68' ' ' SER . 23.7 m -70.04 -33.89 72.56 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -82.1 -32.17 30.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.375 0.67 . . . . 0.0 110.294 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.04 -36.9 69.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -63.41 -40.94 98.56 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.619 0.368 . . . . 0.0 110.176 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -67.13 -36.59 82.21 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.2 mt -74.31 -35.33 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.62 -40.39 80.38 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.054 0.388 . . . . 0.0 111.876 -175.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.93 -35.32 42.05 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-N 118.293 0.497 . . . . 0.0 110.296 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -78.67 -16.71 56.97 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 119.469 -0.3 . . . . 0.0 110.992 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 51.0 m -83.44 -38.24 22.14 Favored 'General case' 0 C--O 1.228 -0.043 0 CA-C-N 118.514 0.597 . . . . 0.0 109.794 174.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.54 -30.85 63.33 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -79.28 -26.61 42.31 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 122.145 -0.347 . . . . 0.0 110.957 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -74.33 -21.89 59.5 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -76.12 -26.69 56.61 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.976 -0.453 . . . . 0.0 110.627 176.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.64 -19.7 48.5 Favored 'General case' 0 CA--C 1.527 0.094 0 O-C-N 121.792 -0.567 . . . . 0.0 112.155 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.6 m -98.74 -15.0 7.57 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.042 0 CA-C-N 117.909 0.322 . . . . 0.0 111.098 177.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.83 -23.11 45.28 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.377 -0.202 . . . . 0.0 110.83 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -108.67 -10.64 15.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.333 0.653 . . . . 0.0 110.788 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.47 -18.62 65.94 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 177.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -154.21 143.24 21.15 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.849 0.86 . . . . 0.0 109.39 176.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -144.4 134.64 24.3 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 72.4 mt 51.74 22.26 1.62 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.567 0.747 . . . . 0.0 111.335 -176.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -149.73 135.87 18.88 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.016 0.926 . . . . 0.0 109.421 -175.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.1 mt 48.25 31.78 2.81 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.975 0.91 . . . . 0.0 112.939 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 C--O 1.252 1.218 0 CA-C-O 117.42 -1.276 . . . . 0.0 110.141 179.654 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.717 1 O4'-C1'-N19 113.577 7.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.451 0 O4'-C1'-N19 110.799 3.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.441 0 O4'-C1'-N19 109.911 2.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.482 0 O4'-C4'-C3' 108.999 3.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 0 O4'-C1'-N19 110.223 3.029 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.473 1 O4'-C1'-N19 111.637 4.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.367 1 O4'-C1'-N19 111.412 4.515 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 110.486 -0.19 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -143.26 159.31 42.57 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.062 0.545 . . . . 0.0 110.355 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -138.0 161.41 36.79 Favored 'General case' 0 CA--C 1.526 0.047 0 C-N-CA 123.558 0.743 . . . . 0.0 110.145 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -84.23 1.44 44.61 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.95 0.5 . . . . 0.0 110.866 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.1 mp -97.72 50.85 1.05 Allowed 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.003 0.921 . . . . 0.0 110.093 -175.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.6 p -63.08 170.71 2.64 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 123.39 0.676 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -65.03 -15.09 61.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.246 -0.284 . . . . 0.0 111.746 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -75.71 -44.88 39.81 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.789 -0.569 . . . . 0.0 110.74 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.8 p -82.46 -25.52 8.8 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.052 0 C-N-CA 122.235 0.214 . . . . 0.0 110.569 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.4 tp -77.75 -29.07 50.85 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 122.289 -0.257 . . . . 0.0 110.848 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.45 -39.57 27.79 Favored 'Isoleucine or valine' 0 C--N 1.339 0.128 0 O-C-N 122.148 -0.345 . . . . 0.0 110.51 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.19 -22.59 61.25 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 118.882 0.765 . . . . 0.0 110.466 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -72.51 -31.56 65.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 122.298 -0.251 . . . . 0.0 110.605 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.6 t -73.51 -29.38 27.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -71.66 -15.3 62.22 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.946 -0.472 . . . . 0.0 110.901 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -88.03 6.96 33.57 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.451 0.7 . . . . 0.0 111.163 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.17 7.52 63.86 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 119.574 -0.57 . . . . 0.0 113.193 174.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -81.9 107.27 14.48 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.288 1.044 . . . . 0.0 110.154 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -80.39 -25.56 39.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 122.502 -0.124 . . . . 0.0 110.857 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.605 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -71.88 -32.4 67.41 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.009 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.18 -29.02 69.8 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 176.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -75.71 -31.39 59.64 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.371 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -65.07 -33.36 75.84 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.052 -0.405 . . . . 0.0 110.658 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.2 -27.13 56.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.5 tp -75.25 -30.72 60.59 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.475 0.31 . . . . 0.0 110.288 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.09 -49.46 67.59 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.8 t -67.77 -23.78 29.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -69.69 -31.11 68.96 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.61 0.364 . . . . 0.0 111.375 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -114.73 -0.24 13.63 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -58.45 -38.44 77.53 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.651 0.659 . . . . 0.0 112.2 -173.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -82.75 -23.89 33.76 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 117.966 0.348 . . . . 0.0 111.042 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' HE2' ' CZ ' ' A' ' 71' ' ' TYR . 80.5 tttt -85.18 -34.01 22.17 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.342 0.257 . . . . 0.0 110.798 -176.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -79.69 -28.52 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.51 64.52 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.9 t -76.33 -26.24 55.56 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.1 tp -82.8 -44.33 15.65 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.891 0.477 . . . . 0.0 112.025 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -79.01 -18.76 13.03 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 118.959 0.799 . . . . 0.0 111.176 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -61.97 -16.07 48.45 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.179 -0.325 . . . . 0.0 110.391 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -78.14 -11.86 59.95 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.352 0.661 . . . . 0.0 111.532 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -127.05 -13.42 5.7 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -175.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.3 m -138.13 154.67 74.27 Favored Pre-proline 0 N--CA 1.462 0.143 0 CA-C-N 118.826 0.739 . . . . 0.0 111.551 176.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.53 156.61 35.68 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.633 2.889 . . . . 0.0 111.018 173.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -61.15 -20.31 62.55 Favored 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 122.172 0.189 . . . . 0.0 111.423 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.65 -13.0 83.95 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-O 119.311 -0.716 . . . . 0.0 112.079 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -117.49 -5.23 11.23 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.292 1.046 . . . . 0.0 111.783 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.406 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 45.8 t -57.53 -51.02 84.81 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 118.426 -0.797 . . . . 0.0 112.193 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.1 Cg_endo -66.8 -23.69 47.78 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.481 1.454 . . . . 0.0 112.31 -173.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -87.17 -26.0 23.78 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 118.277 0.489 . . . . 0.0 111.122 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.5 t -84.13 -27.53 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.5 t -73.76 -39.76 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -72.55 -32.16 65.85 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.112 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.61 -25.46 63.05 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.4 -28.9 52.85 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.136 -0.353 . . . . 0.0 111.113 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -84.62 -34.75 23.05 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.144 0.429 . . . . 0.0 111.239 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.34 -29.85 40.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 CA-C-N 118.829 0.74 . . . . 0.0 109.52 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -75.13 -31.4 61.08 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 176.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.93 -31.15 61.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.59 -38.66 91.78 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.156 0.434 . . . . 0.0 111.383 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -88.03 -10.25 50.87 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.03 -9.58 15.07 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.2 tt -72.49 -19.41 61.55 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.88 0.472 . . . . 0.0 110.483 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.24 -9.11 58.36 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.711 0.291 . . . . 0.0 110.399 174.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -114.65 7.47 16.0 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.99 0.916 . . . . 0.0 111.087 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -68.0 130.83 44.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -99.22 -14.57 19.24 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -174.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.13 20.93 78.91 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -69.8 -7.72 42.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.057 0.543 . . . . 0.0 111.43 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.428 ' HG ' HG22 ' A' ' 72' ' ' THR . 42.8 t -157.9 172.45 18.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.097 0.959 . . . . 0.0 109.377 177.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.35 154.47 13.53 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.006 0.523 . . . . 0.0 109.819 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.31 -31.65 72.9 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.414 ' CZ ' ' HE2' ' A' ' 32' ' ' LYS . 73.5 t80 -73.62 -25.81 60.49 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.628 0.649 . . . . 0.0 111.005 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.428 HG22 ' HG ' ' A' ' 68' ' ' SER . 20.6 m -67.16 -34.34 77.34 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -81.65 -32.97 31.63 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.607 0.363 . . . . 0.0 110.459 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.1 -34.19 70.88 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -65.84 -40.39 91.72 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.22 -35.06 78.79 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 117.819 0.281 . . . . 0.0 110.674 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.436 HG12 ' C5 ' ' B' ' 3' ' ' ' DT' . 64.5 mt -73.56 -36.51 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.83 -41.26 75.21 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.12 0.418 . . . . 0.0 111.938 -174.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.8 p -74.29 -31.91 30.05 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-N 118.124 0.42 . . . . 0.0 110.489 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -82.86 -16.77 46.31 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 119.418 -0.325 . . . . 0.0 111.329 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.3 m -84.29 -37.81 21.21 Favored 'General case' 0 CA--C 1.527 0.065 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 173.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.41 -29.2 59.69 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -84.52 -34.29 23.33 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 117.98 0.355 . . . . 0.0 110.96 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -73.38 -18.49 61.16 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -70.07 -44.48 69.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.719 -0.613 . . . . 0.0 109.887 172.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.2 -23.89 66.9 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.3 p -97.82 -16.11 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 O-C-N 122.196 -0.315 . . . . 0.0 111.125 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.48 -21.64 41.8 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -175.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.82 -8.65 10.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.28 0.946 . . . . 0.0 111.465 171.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.99 -25.18 50.21 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-O 119.266 -0.741 . . . . 0.0 112.012 177.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -153.84 17.6 0.51 Allowed 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -132.29 -17.48 2.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.478 0.581 . . . . 0.0 111.89 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.5 mt -137.93 24.1 2.82 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.716 0.806 . . . . 0.0 110.275 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -68.57 158.86 33.05 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.212 0.529 . . . . 0.0 111.22 -178.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 46.3 tp -145.6 -20.23 0.47 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.726 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.252 1.209 0 CA-C-O 117.091 -1.433 . . . . 0.0 110.684 -179.588 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.264 1 O4'-C1'-N19 111.947 5.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 0 O4'-C1'-N19 110.574 3.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.436 ' C5 ' HG12 ' A' ' 77' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -2.825 0 O4'-C1'-N19 109.598 2.247 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.41 0 O4'-C4'-C3' 109.105 3.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.232 0 O4'-C1'-N19 109.887 2.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.557 1 O4'-C1'-N19 111.854 5.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.55 0 O4'-C1'-N19 110.123 2.903 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 110.69 -0.115 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m 54.63 24.17 5.27 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.154 0.981 . . . . 0.0 113.095 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.61 -6.11 37.51 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.895 0.478 . . . . 0.0 110.926 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 58.3 170.0 0.05 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.04 1.336 . . . . 0.0 113.16 -176.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -104.9 48.09 0.85 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.482 0.713 . . . . 0.0 110.695 -178.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.2 p -63.28 173.51 1.5 Allowed 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.974 0.51 . . . . 0.0 110.6 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -63.09 -14.83 53.17 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 121.804 -0.56 . . . . 0.0 111.307 -178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -67.31 -41.57 85.12 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 117.961 0.346 . . . . 0.0 110.446 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -83.88 -24.67 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 CA-C-N 118.081 0.401 . . . . 0.0 110.295 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.75 -29.0 58.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.3 t -75.26 -35.13 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -71.35 -28.6 64.17 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-N 118.105 0.411 . . . . 0.0 110.53 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -72.84 -29.11 62.96 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.246 0.219 . . . . 0.0 110.867 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.3 t -77.07 -28.0 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 O-C-N 122.095 -0.378 . . . . 0.0 110.141 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -72.07 -15.81 62.02 Favored 'General case' 0 CA--C 1.529 0.163 0 O-C-N 122.082 -0.386 . . . . 0.0 110.394 175.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -83.48 4.5 27.59 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.791 0.436 . . . . 0.0 111.115 172.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.1 9.57 67.38 Favored Glycine 0 CA--C 1.528 0.874 0 CA-C-O 119.589 -0.562 . . . . 0.0 113.075 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -78.07 114.45 16.96 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.301 1.051 . . . . 0.0 110.331 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.2 tp60 -80.13 -28.66 38.88 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.614 0.366 . . . . 0.0 111.031 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.8 mmpt? -75.72 -30.67 59.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.032 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.6 -30.14 70.82 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -76.23 -30.89 58.1 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.119 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -62.94 -35.59 80.63 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.817 0.28 . . . . 0.0 110.638 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.52 -30.46 64.5 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.8 tp -71.59 -30.37 65.75 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.02 -42.76 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.48 -23.87 34.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 CA-C-N 117.932 0.333 . . . . 0.0 110.97 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.99 -31.46 58.97 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 122.039 -0.413 . . . . 0.0 111.884 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -117.46 -0.02 12.04 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -175.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -59.94 -31.1 69.54 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 119.348 0.976 . . . . 0.0 113.24 -174.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -85.33 -27.56 25.82 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.31 0.505 . . . . 0.0 110.403 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.659 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 9.1 tmtt? -71.7 -46.01 60.09 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.373 0.669 . . . . 0.0 110.569 178.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.408 HG11 ' CE2' ' A' ' 54' ' ' PHE . 10.8 p -73.17 -31.39 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.186 -176.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.98 -29.43 68.46 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 122.074 -0.391 . . . . 0.0 110.819 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.6 m -80.12 -22.06 42.54 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.21 0.204 . . . . 0.0 110.696 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -84.11 -40.86 17.75 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 122.608 0.363 . . . . 0.0 111.572 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 m -80.87 -21.2 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.077 0 CA-C-N 118.568 0.622 . . . . 0.0 111.173 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.1 t -61.06 -15.87 37.32 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.682 0.277 . . . . 0.0 110.63 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -79.23 -11.48 59.96 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.335 0.654 . . . . 0.0 111.506 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -127.08 -15.43 5.29 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -175.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.8 m -136.42 154.36 76.89 Favored Pre-proline 0 N--CA 1.463 0.216 0 CA-C-N 118.346 0.521 . . . . 0.0 110.584 176.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -70.08 162.02 43.79 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.427 2.751 . . . . 0.0 110.097 176.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.0 p -60.34 -18.2 48.31 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.91 -15.09 81.59 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.485 -0.619 . . . . 0.0 112.436 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -118.56 -5.84 10.72 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 117.981 0.891 . . . . 0.0 112.149 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.8 t -56.59 -50.92 85.07 Favored Pre-proline 0 C--O 1.226 -0.176 0 CA-C-O 118.343 -0.837 . . . . 0.0 112.186 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -68.14 -22.93 40.21 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 121.444 1.429 . . . . 0.0 112.379 -174.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -87.0 -25.83 24.06 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 118.11 0.414 . . . . 0.0 111.038 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.9 t -84.53 -27.02 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.4 t -73.93 -39.74 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.45 -31.86 65.79 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.645 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -72.23 -24.71 61.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 122.224 -0.297 . . . . 0.0 110.391 176.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.01 -32.77 61.7 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 122.273 -0.267 . . . . 0.0 110.746 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CE2' HG11 ' A' ' 33' ' ' VAL . 39.8 m-85 -84.59 -35.86 22.47 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 117.772 0.26 . . . . 0.0 111.235 177.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -69.72 -29.52 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 118.937 0.789 . . . . 0.0 109.765 177.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -74.66 -31.63 61.99 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.272 0.487 . . . . 0.0 109.993 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.02 -33.11 63.65 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -63.3 -37.87 88.96 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.068 0.394 . . . . 0.0 111.403 -177.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -87.7 -12.01 46.6 Favored 'General case' 0 CA--C 1.527 0.059 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.14 -7.53 16.02 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 tt -75.13 -21.7 58.67 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.604 0.762 . . . . 0.0 110.385 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.55 -8.85 57.63 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 174.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.0 m -114.71 12.36 17.08 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.989 0.915 . . . . 0.0 110.956 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -66.66 132.25 47.73 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 mtt85 -99.53 -18.68 17.27 Favored 'General case' 0 C--N 1.337 0.054 0 C-N-CA 123.035 0.534 . . . . 0.0 112.118 -174.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.89 20.15 79.59 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.709 -0.556 . . . . 0.0 111.709 178.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.56 -10.26 54.64 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 117.272 0.536 . . . . 0.0 111.17 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.1 t -154.91 172.47 17.99 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.37 1.068 . . . . 0.0 108.754 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.52 152.85 17.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 176.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.24 -31.42 72.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -174.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.659 ' CZ ' ' HE3' ' A' ' 32' ' ' LYS . 69.6 t80 -71.16 -28.56 64.34 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 118.091 0.405 . . . . 0.0 110.991 -178.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.9 m -66.96 -34.36 77.6 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -82.41 -31.8 29.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.661 0.784 . . . . 0.0 111.025 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -38.35 72.43 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -67.32 -39.33 85.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -65.78 -35.42 80.65 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.512 0.725 . . . . 0.0 111.39 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.4 mt -75.98 -34.5 27.33 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.114 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.54 -40.78 85.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 118.046 0.384 . . . . 0.0 111.938 -175.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.8 p -74.02 -31.95 31.73 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.043 0 CA-C-N 117.889 0.313 . . . . 0.0 110.502 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -82.89 -17.88 42.22 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.46 -0.305 . . . . 0.0 111.722 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.4 m -82.31 -39.24 23.15 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 118.542 0.61 . . . . 0.0 109.895 176.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.58 -27.41 62.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 122.249 -0.282 . . . . 0.0 110.873 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -84.12 -31.14 25.4 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 122.288 -0.257 . . . . 0.0 110.677 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -72.81 -22.03 60.88 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -73.92 -32.41 63.52 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.057 -0.402 . . . . 0.0 110.713 175.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.37 -23.37 64.66 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.013 -0.429 . . . . 0.0 111.505 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m -101.78 -14.82 7.97 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.109 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.28 -26.94 60.5 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.263 0.483 . . . . 0.0 111.88 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -118.56 -8.55 10.43 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 122.539 0.336 . . . . 0.0 110.963 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -88.03 -6.85 74.81 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 176.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -131.76 -167.49 1.88 Allowed 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.795 0.838 . . . . 0.0 110.912 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 65.2 139.36 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.75 1.62 . . . . 0.0 110.794 -172.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 51.47 36.57 17.1 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.224 0.61 . . . . 0.0 110.362 -172.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -72.21 160.33 32.61 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.035 0.445 . . . . 0.0 110.991 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.9 tp 53.49 26.05 5.23 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.157 0.983 . . . . 0.0 112.615 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.971 179.417 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 1 O4'-C1'-N19 112.272 5.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.432 1 O4'-C1'-N19 111.332 4.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.555 0 O4'-C1'-N19 110.283 3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.584 0 O4'-C4'-C3' 108.899 3.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.013 0 O4'-C1'-N19 110.155 2.944 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.43 1 O4'-C1'-N19 111.797 4.996 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 0 C5'-C4'-C3' 109.199 -3.667 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -140.64 8.5 2.16 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 56.37 -174.98 0.06 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.078 0.951 . . . . 0.0 112.471 -177.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 54.42 59.44 4.16 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.879 0.872 . . . . 0.0 111.791 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mp -79.8 38.66 0.4 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.45 1.1 . . . . 0.0 110.32 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.3 p -69.97 175.9 4.11 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.561 0.745 . . . . 0.0 110.926 -178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.01 -14.86 57.32 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 122.493 0.317 . . . . 0.0 111.3 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -71.53 -45.46 62.31 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.975 -0.453 . . . . 0.0 110.623 -177.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.8 -26.08 7.52 Favored 'Isoleucine or valine' 0 C--N 1.339 0.111 0 CA-C-N 117.935 0.334 . . . . 0.0 110.729 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 tp -71.85 -27.16 62.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.6 t -78.24 -36.95 21.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 O-C-N 122.09 -0.381 . . . . 0.0 110.152 175.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -67.8 -29.98 69.29 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.505 0.593 . . . . 0.0 110.197 176.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.4 ttm-85 -71.54 -32.31 68.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.112 0.165 . . . . 0.0 110.735 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.5 t -73.88 -28.05 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-N 117.987 0.358 . . . . 0.0 110.206 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -72.65 -15.47 61.71 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.019 0.372 . . . . 0.0 110.698 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -86.03 5.46 33.37 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.804 0.442 . . . . 0.0 111.248 173.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.08 8.29 69.1 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-O 119.618 -0.546 . . . . 0.0 112.868 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -77.54 103.77 7.67 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 117.948 0.874 . . . . 0.0 109.632 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -79.83 -25.74 40.69 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.513 0.197 . . . . 0.0 110.641 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.607 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.1 mmpt? -72.16 -30.8 65.36 Favored 'General case' 0 CA--C 1.52 -0.184 0 O-C-N 121.92 -0.487 . . . . 0.0 109.73 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.79 -29.0 67.27 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -73.21 -30.87 63.81 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -64.66 -36.37 84.03 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.869 -0.519 . . . . 0.0 110.214 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.59 -26.74 62.73 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 176.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.4 tp -77.31 -28.86 53.39 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.6 t -73.53 -44.57 53.48 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.89 -23.56 33.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -73.84 -35.35 64.79 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -114.78 0.11 13.71 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 -176.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -60.08 -30.33 69.16 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.384 0.993 . . . . 0.0 112.918 -174.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -84.27 -28.11 27.41 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 118.375 0.534 . . . . 0.0 110.687 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.671 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 8.6 tmtt? -72.33 -45.94 57.72 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.446 0.699 . . . . 0.0 110.608 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.4 p -73.27 -31.57 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.255 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.03 -27.29 66.41 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 117.982 0.355 . . . . 0.0 110.343 178.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.4 m -81.49 -20.98 39.0 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.932 0.493 . . . . 0.0 110.875 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -85.74 -41.7 14.88 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 119.342 -0.361 . . . . 0.0 111.29 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.8 m -80.82 -23.23 10.96 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 CA-C-N 118.529 0.604 . . . . 0.0 111.309 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 98.0 p -62.87 -15.7 55.81 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.129 0.422 . . . . 0.0 111.074 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -77.17 -10.3 59.32 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.082 0.553 . . . . 0.0 111.296 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -126.61 -19.51 4.55 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -176.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.41 153.3 81.57 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-N 118.454 0.57 . . . . 0.0 110.517 176.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.49 161.14 47.07 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.447 2.765 . . . . 0.0 109.843 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.4 p -60.16 -18.1 45.42 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.51 -15.2 81.37 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 119.289 -0.728 . . . . 0.0 112.319 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -118.65 -5.84 10.68 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 118.22 1.01 . . . . 0.0 112.445 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.403 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.3 t -57.52 -49.91 91.13 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-O 118.385 -0.817 . . . . 0.0 112.313 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.403 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 65.9 Cg_endo -67.88 -22.11 43.03 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 121.458 1.439 . . . . 0.0 112.015 -174.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -85.42 -31.29 22.95 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.18 0.445 . . . . 0.0 110.864 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.9 t -81.24 -28.95 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.8 t -72.4 -38.48 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -73.27 -26.8 61.24 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.44 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -80.4 -23.73 40.19 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 122.077 -0.389 . . . . 0.0 110.429 176.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.65 -33.59 62.55 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 122.24 -0.288 . . . . 0.0 111.418 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -83.12 -34.57 26.05 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 118.318 0.508 . . . . 0.0 111.068 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.19 -28.95 30.57 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 118.585 0.629 . . . . 0.0 109.792 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -74.4 -31.5 62.36 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.174 0.443 . . . . 0.0 110.03 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.28 -32.91 63.1 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -63.76 -36.77 84.95 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 117.925 0.33 . . . . 0.0 111.566 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -90.42 -9.32 47.96 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.22 -7.96 15.19 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 tt -73.7 -19.85 60.7 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 123.071 0.548 . . . . 0.0 110.683 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.68 -8.62 56.25 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.341 0.256 . . . . 0.0 110.324 174.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.4 m -114.6 9.23 16.52 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.872 0.869 . . . . 0.0 111.127 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -67.97 129.74 40.82 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -99.47 -14.76 18.95 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -174.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.22 21.08 76.49 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -67.8 -10.27 51.38 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.245 0.618 . . . . 0.0 110.999 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.455 ' HG ' HG22 ' A' ' 72' ' ' THR . 41.5 t -156.91 172.86 17.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.437 1.095 . . . . 0.0 108.886 178.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.48 152.77 20.95 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -64.5 -31.76 73.11 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 121.951 -0.468 . . . . 0.0 111.962 -174.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.671 ' CZ ' ' HE3' ' A' ' 32' ' ' LYS . 63.1 t80 -70.1 -29.67 66.69 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.3 0.5 . . . . 0.0 110.732 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.455 HG22 ' HG ' ' A' ' 68' ' ' SER . 20.6 m -65.76 -34.74 78.88 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -82.12 -32.33 30.21 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.003 0.521 . . . . 0.0 110.791 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.24 -34.16 72.52 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.68 -40.92 88.78 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 122.544 0.337 . . . . 0.0 110.17 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -64.79 -38.54 91.31 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 122.301 0.24 . . . . 0.0 111.425 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 48.5 mt -70.66 -36.93 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 118.081 0.4 . . . . 0.0 110.287 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.15 -38.81 69.11 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -175.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.7 p -77.37 -26.35 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.052 0 CA-C-N 118.302 0.501 . . . . 0.0 110.736 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -82.89 -29.23 29.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.0 m -71.44 -39.88 70.72 Favored 'General case' 0 C--N 1.34 0.178 0 O-C-N 121.757 -0.589 . . . . 0.0 110.216 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.06 -28.11 61.24 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.302 -0.249 . . . . 0.0 111.548 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -83.91 -31.46 25.64 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 122.06 -0.4 . . . . 0.0 110.754 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -71.57 -22.84 61.69 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 175.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -73.83 -28.55 61.67 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.05 -0.406 . . . . 0.0 110.603 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.5 mt -75.63 -22.06 57.16 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 121.64 -0.663 . . . . 0.0 112.424 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.8 m -94.74 -15.39 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 CA-C-N 118.394 0.543 . . . . 0.0 111.28 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.74 -26.02 49.63 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.294 -0.254 . . . . 0.0 111.033 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -108.22 -11.79 15.19 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.3 0.64 . . . . 0.0 110.614 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.43 -9.96 78.14 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -124.91 169.24 12.26 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.986 0.914 . . . . 0.0 109.601 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 57.58 12.2 1.48 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.604 1.162 . . . . 0.0 113.07 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 79.6 mt -138.13 26.32 2.68 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.622 0.769 . . . . 0.0 110.659 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -91.1 155.87 18.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.922 0.489 . . . . 0.0 110.841 178.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 55.62 19.27 3.2 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.816 1.246 . . . . 0.0 113.371 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.035 -1.46 . . . . 0.0 110.883 176.924 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.821 1 O4'-C1'-N19 112.821 6.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.363 0 C5'-C4'-C3' 110.435 -2.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.54 0 O4'-C4'-C3' 109.234 3.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.034 0 O4'-C1'-N19 110.228 3.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.465 1 O4'-C1'-N19 112.421 5.776 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.465 0 C5'-C4'-C3' 109.129 -3.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.9 p . . . . . 0 C--O 1.231 0.113 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.34 -15.97 51.47 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.741 -0.599 . . . . 0.0 110.672 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -72.19 -37.78 69.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.971 -0.456 . . . . 0.0 110.886 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 m -83.43 -26.55 7.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 CA-C-N 118.187 0.449 . . . . 0.0 110.001 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.9 tp -80.38 -31.2 37.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.166 -175.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.9 t -75.87 -36.03 31.56 Favored 'Isoleucine or valine' 0 C--N 1.338 0.077 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -72.55 -26.47 61.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 122.138 -0.351 . . . . 0.0 110.283 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -73.7 -30.1 62.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.157 -0.339 . . . . 0.0 110.71 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -75.44 -28.39 20.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 CA-C-N 117.96 0.346 . . . . 0.0 110.421 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -72.35 -15.95 61.87 Favored 'General case' 0 CA--C 1.527 0.084 0 O-C-N 121.822 -0.549 . . . . 0.0 110.858 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -83.98 6.06 23.34 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.61 0.364 . . . . 0.0 111.38 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.57 7.64 64.77 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.65 -0.528 . . . . 0.0 113.289 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -80.19 111.25 16.38 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 118.308 1.054 . . . . 0.0 110.091 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -80.2 -29.46 38.6 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 122.301 -0.249 . . . . 0.0 110.953 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.635 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.5 mmpt? -69.97 -30.44 67.8 Favored 'General case' 0 N--CA 1.457 -0.111 0 O-C-N 122.065 -0.397 . . . . 0.0 109.953 -178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.54 -29.92 70.11 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 176.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -74.38 -29.97 61.77 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.229 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -64.77 -35.78 82.17 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 122.097 -0.377 . . . . 0.0 110.641 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.86 -24.93 58.65 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.1 tp -75.28 -29.81 60.22 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -70.75 -45.05 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.83 -23.69 33.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 O-C-N 122.353 -0.217 . . . . 0.0 110.512 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -73.76 -35.89 65.06 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.847 0.459 . . . . 0.0 111.534 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -114.65 -2.61 13.03 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -175.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -58.95 -30.9 68.24 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 119.518 1.053 . . . . 0.0 112.849 -173.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -85.17 -29.03 25.09 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-N 118.089 0.404 . . . . 0.0 110.701 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -80.81 -33.62 34.63 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.987 0.515 . . . . 0.0 110.8 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.5 p -79.28 -28.84 13.48 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.13 -26.93 66.04 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.297 -0.252 . . . . 0.0 110.691 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.7 m -79.01 -21.99 46.14 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 122.899 0.48 . . . . 0.0 110.943 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -83.78 -44.25 14.58 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.3 m -78.78 -22.24 12.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-N 118.812 0.733 . . . . 0.0 111.654 -176.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 94.0 p -62.03 -14.9 40.21 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.086 0.403 . . . . 0.0 110.779 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -79.35 -9.39 59.58 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.258 0.623 . . . . 0.0 111.29 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -126.91 -14.7 5.54 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -177.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.7 m -136.31 153.34 76.35 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-N 118.418 0.554 . . . . 0.0 110.545 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.26 161.58 45.29 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.464 2.776 . . . . 0.0 109.955 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.2 t -58.61 -21.52 53.68 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.857 0.463 . . . . 0.0 112.154 -175.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.33 -14.2 80.95 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.426 -0.652 . . . . 0.0 112.715 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -118.34 -6.2 10.8 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 118.149 0.975 . . . . 0.0 112.16 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.426 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 54.1 t -57.29 -51.68 79.9 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-O 118.497 -0.763 . . . . 0.0 111.965 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.6 Cg_endo -67.11 -22.55 47.15 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 121.372 1.381 . . . . 0.0 111.907 -174.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -84.66 -32.13 23.79 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.033 0.378 . . . . 0.0 110.784 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.7 t -80.76 -29.55 11.72 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 C-N-CA 122.519 0.328 . . . . 0.0 110.238 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.7 t -70.85 -38.44 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -72.59 -27.84 62.42 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -77.94 -24.19 48.3 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.195 -0.316 . . . . 0.0 110.404 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.35 -31.32 58.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 122.066 -0.396 . . . . 0.0 111.133 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -81.9 -32.44 30.94 Favored 'General case' 0 C--N 1.341 0.198 0 O-C-N 122.032 -0.418 . . . . 0.0 110.975 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.54 -30.44 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 O-C-N 121.695 -0.628 . . . . 0.0 110.227 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -73.4 -32.5 64.48 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.37 -29.66 57.27 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.76 -0.2 . . . . 0.0 110.556 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -62.6 -42.32 99.5 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 118.263 0.483 . . . . 0.0 111.143 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -92.07 -6.42 51.02 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.21 -7.2 16.06 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tt -72.31 -18.56 61.77 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.963 0.505 . . . . 0.0 110.445 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.77 -7.55 51.16 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.19 -0.319 . . . . 0.0 110.413 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -113.87 7.76 17.1 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.967 0.907 . . . . 0.0 110.748 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -69.25 131.32 44.7 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 -99.46 -14.49 19.08 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.64 21.06 77.72 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.554 -0.619 . . . . 0.0 111.554 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -68.37 -10.31 54.16 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.119 0.568 . . . . 0.0 111.367 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.9 t -157.55 174.12 15.85 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.207 1.003 . . . . 0.0 109.088 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.5 155.62 11.86 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 122.806 0.442 . . . . 0.0 110.013 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.24 -33.56 76.1 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -172.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -72.42 -25.18 61.38 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.959 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.1 m -65.54 -35.59 81.29 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -81.99 -33.6 30.07 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.254 0.622 . . . . 0.0 110.492 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -33.93 71.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -64.8 -42.22 95.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -68.06 -33.89 75.41 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-O 119.579 -0.248 . . . . 0.0 111.438 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.5 mt -74.99 -37.44 41.14 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.143 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.84 74.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.97 -34.69 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.173 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -78.39 -23.11 46.95 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 119.403 -0.332 . . . . 0.0 110.859 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.5 m -74.74 -38.66 62.2 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 118.755 0.707 . . . . 0.0 109.318 175.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.79 -31.06 61.63 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.368 -0.208 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -81.77 -28.01 33.47 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 122.136 -0.353 . . . . 0.0 111.295 178.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -73.54 -21.14 60.46 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 118.068 0.394 . . . . 0.0 110.193 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -75.86 -31.92 59.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.563 0.345 . . . . 0.0 111.062 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.71 -28.41 62.65 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.181 -0.324 . . . . 0.0 111.402 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 C--N 1.337 0.046 0 CA-C-N 117.809 0.277 . . . . 0.0 111.509 178.871 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.8 p . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.979 0.419 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.17 -14.95 28.87 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.587 0.355 . . . . 0.0 111.58 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -72.31 -43.38 64.27 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.779 -0.575 . . . . 0.0 110.747 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.1 m -84.47 -24.34 7.4 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 O-C-N 122.007 -0.433 . . . . 0.0 110.501 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.5 tp -77.07 -28.85 54.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.878 -0.146 . . . . 0.0 110.729 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.9 t -76.95 -36.68 25.68 Favored 'Isoleucine or valine' 0 C--O 1.23 0.074 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -70.94 -26.15 63.05 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 121.882 -0.511 . . . . 0.0 110.193 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -75.87 -28.05 58.01 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.604 0.361 . . . . 0.0 110.918 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.43 -28.89 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 CA-C-N 117.94 0.336 . . . . 0.0 110.188 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -70.96 -15.49 62.59 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.162 0.437 . . . . 0.0 109.99 174.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -78.44 -2.23 37.47 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.917 0.487 . . . . 0.0 110.63 173.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.05 10.04 63.04 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 123.357 0.503 . . . . 0.0 112.632 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -81.45 112.52 18.78 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.047 0.924 . . . . 0.0 110.503 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -80.08 -27.79 39.22 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.475 0.31 . . . . 0.0 110.913 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.633 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.8 mmpt? -66.6 -32.18 73.35 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.19 -28.82 62.41 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.768 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -75.45 -34.2 60.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.861 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -59.57 -37.51 78.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.1 -0.375 . . . . 0.0 110.772 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.62 -23.62 58.73 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.378 0.536 . . . . 0.0 110.359 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.6 tp -75.78 -28.8 58.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.6 t -72.12 -46.18 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.3 -23.39 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 117.811 0.278 . . . . 0.0 110.818 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -72.28 -38.85 68.71 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.018 0.527 . . . . 0.0 111.586 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -114.37 -1.19 13.58 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -174.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -58.75 -30.96 67.9 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 119.418 1.008 . . . . 0.0 112.96 -174.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -86.93 -27.19 23.5 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.549 0.613 . . . . 0.0 111.249 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -80.46 -34.75 35.71 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.33 0.252 . . . . 0.0 110.412 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 p -79.56 -29.07 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.37 -25.23 64.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.177 -0.327 . . . . 0.0 110.341 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.7 m -79.45 -21.85 44.93 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.937 0.495 . . . . 0.0 110.267 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 tp -84.86 -45.63 12.09 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.9 m -77.19 -22.24 14.47 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.04 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.543 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.8 p -62.24 -14.57 39.71 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.772 0.26 . . . . 0.0 110.954 177.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -78.4 -9.82 59.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.319 0.648 . . . . 0.0 111.332 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -126.74 -14.67 5.63 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.63 152.93 75.46 Favored Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 118.37 0.532 . . . . 0.0 110.599 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -69.94 160.41 49.75 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.466 2.778 . . . . 0.0 109.797 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.5 m -59.2 -15.25 13.96 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.573 0.749 . . . . 0.0 112.828 -175.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.4 -15.14 80.5 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-O 119.394 -0.67 . . . . 0.0 112.491 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -118.73 -4.76 10.71 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 117.962 0.881 . . . . 0.0 112.144 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.443 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 56.1 t -57.45 -50.19 89.57 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.333 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.9 Cg_endo -67.16 -22.03 47.64 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 121.491 1.46 . . . . 0.0 111.982 -174.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -84.5 -31.77 24.31 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 118.15 0.432 . . . . 0.0 110.694 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 73.7 t -80.88 -29.62 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 C-N-CA 122.357 0.263 . . . . 0.0 110.374 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.7 t -72.2 -38.12 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 176.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -73.25 -27.06 61.37 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.311 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -78.53 -24.14 45.87 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.123 -0.36 . . . . 0.0 110.286 176.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.69 -30.5 56.74 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 122.263 -0.273 . . . . 0.0 111.302 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -82.55 -34.92 27.65 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 118.06 0.391 . . . . 0.0 110.922 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.64 -28.48 27.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 118.516 0.598 . . . . 0.0 110.095 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -75.31 -31.63 60.72 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.31 -32.9 64.88 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.65 -40.14 96.12 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.214 0.461 . . . . 0.0 111.527 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -85.61 -9.95 56.53 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.36 -7.44 14.8 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 tt -73.59 -19.99 60.73 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 122.653 0.381 . . . . 0.0 110.746 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.38 -8.54 55.55 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.084 -0.385 . . . . 0.0 110.2 174.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 m -114.85 6.08 15.35 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.043 0.937 . . . . 0.0 111.082 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -68.04 131.3 45.2 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -99.41 -17.45 17.97 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.94 22.72 68.18 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.87 -9.33 43.81 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.148 0.579 . . . . 0.0 110.716 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.0 t -156.53 173.19 17.28 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.212 1.005 . . . . 0.0 108.834 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.69 154.51 11.53 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -62.65 -34.38 76.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 121.815 -0.553 . . . . 0.0 112.36 -172.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -75.62 -19.6 59.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 119.961 -0.696 . . . . 0.0 111.752 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.8 m -69.23 -34.64 75.14 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 76.0 t90 -82.3 -29.03 31.37 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.166 0.586 . . . . 0.0 110.751 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.44 -40.19 62.11 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -62.44 -37.73 87.0 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -68.5 -36.93 79.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.684 0.794 . . . . 0.0 111.059 -177.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.4 mt -77.42 -37.01 24.49 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.148 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.76 82.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -175.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.431 HG22 ' HE2' ' A' ' 83' ' ' LYS . 9.0 p -72.86 -36.54 52.29 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.885 177.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -76.64 -18.3 58.67 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 119.432 -0.318 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.4 m -79.78 -38.59 32.77 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 118.73 0.695 . . . . 0.0 109.496 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.07 -31.49 62.86 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.295 -0.253 . . . . 0.0 110.731 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.431 ' HE2' HG22 ' A' ' 79' ' ' VAL . 47.8 mtmt -76.45 -30.81 57.5 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 121.834 -0.541 . . . . 0.0 110.746 176.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -71.73 -22.43 61.62 Favored 'General case' 0 CA--C 1.527 0.078 0 CA-C-N 118.022 0.374 . . . . 0.0 110.107 176.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -76.02 -26.53 56.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.346 0.258 . . . . 0.0 110.897 177.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.4 mt -81.2 -21.21 39.78 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.665 -0.647 . . . . 0.0 112.192 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 CA--C 1.523 -0.076 0 CA-C-N 118.054 0.388 . . . . 0.0 111.229 178.072 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.866 0.365 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.75 -14.81 35.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.132 -0.355 . . . . 0.0 111.702 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -73.67 -44.94 55.36 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.703 -0.623 . . . . 0.0 110.489 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.8 m -84.17 -23.24 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-N 117.804 0.274 . . . . 0.0 110.692 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.6 tp -77.7 -28.6 51.0 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.9 t -76.04 -38.24 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -66.37 -29.04 69.13 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -79.16 -30.12 43.39 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.333 0.253 . . . . 0.0 111.353 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.9 t -76.28 -37.78 32.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-N 118.162 0.437 . . . . 0.0 111.291 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -76.07 -15.17 60.16 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.31 0.504 . . . . 0.0 111.291 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -79.3 2.84 19.96 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.777 0.431 . . . . 0.0 111.641 170.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.23 5.62 40.13 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-O 119.03 -0.872 . . . . 0.0 114.827 171.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -85.38 109.84 18.71 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.945 1.372 . . . . 0.0 110.344 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -80.24 -29.18 38.4 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 121.947 -0.471 . . . . 0.0 111.115 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.61 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.8 mmpt? -71.27 -30.99 66.96 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.89 -26.93 67.85 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -75.67 -31.07 59.6 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.49 -35.28 79.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 122.135 -0.353 . . . . 0.0 110.335 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.22 -26.22 60.12 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 122.239 -0.288 . . . . 0.0 110.325 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.7 tp -75.24 -28.24 59.79 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.425 0.29 . . . . 0.0 110.242 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.8 t -72.35 -45.41 60.62 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.3 t -64.62 -23.7 33.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 O-C-N 122.202 -0.311 . . . . 0.0 110.685 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -72.58 -37.71 68.09 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.264 0.625 . . . . 0.0 111.903 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -114.68 -1.4 13.32 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -175.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -58.85 -32.16 69.18 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 119.338 0.972 . . . . 0.0 113.044 -173.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -86.74 -26.69 24.07 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.024 0.375 . . . . 0.0 111.01 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -81.54 -33.27 31.86 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.558 0.343 . . . . 0.0 110.609 -177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.8 p -79.8 -29.33 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.77 -28.57 66.91 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.083 -0.385 . . . . 0.0 110.854 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.5 m -78.33 -22.32 48.26 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.205 0.202 . . . . 0.0 110.689 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.5 tp -82.24 -43.84 17.09 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-O 119.39 -0.338 . . . . 0.0 111.686 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.2 m -78.41 -20.24 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.05 0 CA-C-N 118.75 0.705 . . . . 0.0 111.186 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.5 t -61.69 -16.14 46.4 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.714 0.292 . . . . 0.0 110.528 176.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -78.88 -12.35 60.03 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.081 0.552 . . . . 0.0 111.448 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.94 -13.37 5.77 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.42 154.59 77.05 Favored Pre-proline 0 N--CA 1.463 0.21 0 CA-C-N 118.709 0.686 . . . . 0.0 111.2 176.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -58.85 156.27 33.97 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.628 2.885 . . . . 0.0 111.011 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.3 p -62.24 -17.94 59.79 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.58 -13.14 83.52 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 119.595 -0.558 . . . . 0.0 112.149 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -117.0 -4.49 11.5 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.044 0.922 . . . . 0.0 111.839 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.435 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 46.6 t -58.24 -51.19 83.62 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-O 118.281 -0.866 . . . . 0.0 112.002 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 59.9 Cg_endo -66.83 -23.1 48.33 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 121.546 1.497 . . . . 0.0 112.12 -174.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -84.39 -31.95 24.43 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 117.97 0.35 . . . . 0.0 110.774 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.2 t -81.8 -29.19 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 122.427 0.291 . . . . 0.0 110.305 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.2 t -70.32 -38.65 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -71.59 -28.08 63.58 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.314 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.28 -24.62 46.71 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 122.171 -0.331 . . . . 0.0 110.258 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.57 -30.79 52.74 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.257 -0.277 . . . . 0.0 111.214 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -80.56 -34.38 35.41 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 117.905 0.32 . . . . 0.0 110.847 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.86 -29.66 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 118.598 0.636 . . . . 0.0 110.502 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -73.3 -32.25 64.51 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.79 -35.19 62.52 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.26 -37.6 83.7 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 118.279 0.49 . . . . 0.0 111.509 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -90.5 -9.93 45.47 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.45 -6.25 15.5 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 tt -73.41 -22.99 60.09 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.183 0.593 . . . . 0.0 111.146 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.31 -10.16 56.57 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.06 -0.4 . . . . 0.0 110.568 176.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.5 m -109.18 6.9 25.18 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.861 0.864 . . . . 0.0 110.915 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -67.75 132.1 46.8 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -99.55 -16.34 18.32 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.43 22.1 71.12 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -68.53 -9.13 47.22 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.048 0.539 . . . . 0.0 111.051 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.7 t -157.4 174.15 15.84 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.03 0.932 . . . . 0.0 108.833 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.47 155.06 12.73 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -63.71 -33.19 75.1 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -173.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -74.46 -22.59 59.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 120.0 -0.68 . . . . 0.0 111.321 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 m -67.91 -33.86 75.53 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -82.05 -33.82 29.74 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.24 0.616 . . . . 0.0 110.482 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.69 -35.09 72.62 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -64.41 -39.78 94.51 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.867 0.467 . . . . 0.0 110.061 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -67.59 -36.63 81.24 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 117.431 0.105 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.6 mt -74.67 -36.23 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.75 73.8 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 117.891 0.314 . . . . 0.0 111.746 -175.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.3 p -72.72 -32.61 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 CA-C-N 118.146 0.43 . . . . 0.0 110.061 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -82.53 -22.03 35.16 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.411 -0.328 . . . . 0.0 111.202 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.5 m -75.85 -38.97 57.46 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 118.85 0.75 . . . . 0.0 109.308 175.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.65 -28.15 58.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 122.279 -0.263 . . . . 0.0 110.836 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -81.65 -32.36 31.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.015 -0.428 . . . . 0.0 110.884 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -71.64 -21.1 61.87 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -74.63 -27.29 60.38 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 122.226 -0.296 . . . . 0.0 110.737 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.45 -21.14 53.41 Favored 'General case' 0 C--N 1.338 0.108 0 O-C-N 121.831 -0.543 . . . . 0.0 112.279 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.227 -0.129 0 CA-C-N 118.419 0.554 . . . . 0.0 111.162 176.542 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.7 p . . . . . 0 CA--C 1.528 0.118 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -64.58 -17.97 64.45 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 121.93 -0.481 . . . . 0.0 111.155 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -76.35 -46.82 25.77 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.151 -0.343 . . . . 0.0 110.543 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.96 -27.02 10.9 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 CA-C-N 117.891 0.314 . . . . 0.0 110.678 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.0 tp -70.98 -27.52 63.77 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.1 t -77.88 -34.52 19.71 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 O-C-N 122.33 -0.231 . . . . 0.0 110.469 175.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.79 -29.64 68.87 Favored 'General case' 0 C--N 1.337 0.059 0 O-C-N 121.83 -0.544 . . . . 0.0 109.884 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -71.53 -31.63 67.26 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -74.4 -29.46 24.24 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -71.38 -15.43 62.37 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.235 0.47 . . . . 0.0 110.889 176.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -84.32 4.62 30.32 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.666 0.387 . . . . 0.0 111.149 173.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.94 7.25 64.51 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-O 119.451 -0.638 . . . . 0.0 112.868 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -79.7 108.19 13.05 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 118.261 1.03 . . . . 0.0 109.94 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -80.16 -25.05 39.97 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.225 -0.297 . . . . 0.0 110.467 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.625 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -73.15 -30.37 63.54 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 122.093 -0.379 . . . . 0.0 110.167 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.79 -28.33 67.5 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -74.43 -30.45 61.91 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.831 -0.347 . . . . 0.0 110.092 177.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -65.67 -36.14 82.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.834 -0.541 . . . . 0.0 110.28 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.63 -26.95 61.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.4 tp -75.39 -29.5 59.85 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.685 0.394 . . . . 0.0 110.133 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.5 t -72.08 -46.18 59.97 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.098 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.79 -23.7 33.99 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 O-C-N 122.252 -0.28 . . . . 0.0 110.537 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -75.55 -32.77 60.56 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.779 0.432 . . . . 0.0 111.803 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -116.19 -2.74 12.11 Favored 'General case' 0 C--O 1.228 -0.059 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -59.04 -31.9 69.26 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 119.18 0.9 . . . . 0.0 112.87 -172.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.2 p-80 -85.44 -27.03 26.0 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.115 0.416 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -81.52 -34.79 31.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.6 p -78.68 -29.89 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 110.537 -0.172 . . . . 0.0 110.537 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.0 -26.75 66.06 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.3 m -79.31 -22.01 45.18 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 122.688 0.395 . . . . 0.0 110.853 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.9 tp -83.5 -43.33 15.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.804 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 m -80.49 -21.45 11.47 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.059 0 CA-C-N 118.777 0.717 . . . . 0.0 111.639 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.9 p -63.38 -15.6 57.99 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.102 0.41 . . . . 0.0 110.862 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -75.56 -11.6 60.05 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.141 0.576 . . . . 0.0 110.904 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -126.95 -13.16 5.8 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -174.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.6 m -137.07 155.43 76.13 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 118.633 0.651 . . . . 0.0 111.31 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 157.41 35.13 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.613 2.875 . . . . 0.0 110.97 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.1 p -62.1 -18.54 61.09 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 111.628 0.232 . . . . 0.0 111.628 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.67 -12.96 83.68 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.523 -0.599 . . . . 0.0 112.324 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -117.9 -3.93 11.14 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.07 0.935 . . . . 0.0 111.957 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.444 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.9 t -58.01 -50.54 87.54 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.724 177.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.5 Cg_endo -66.59 -22.72 50.57 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 CA-C-N 120.709 1.289 . . . . 0.0 111.865 -175.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -82.6 -32.6 28.32 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.012 -0.43 . . . . 0.0 110.633 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 77.6 t -82.57 -27.8 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 122.621 0.368 . . . . 0.0 110.539 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.0 t -72.55 -34.98 49.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -74.48 -21.09 59.75 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 121.177 -0.209 . . . . 0.0 110.534 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -84.73 -21.25 30.15 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.048 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.24 -34.56 28.79 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 122.166 -0.334 . . . . 0.0 111.461 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -80.59 -32.85 36.34 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 118.097 0.408 . . . . 0.0 110.92 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.16 -28.3 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -74.63 -31.79 62.1 Favored 'General case' 0 C--N 1.339 0.115 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.48 -35.7 63.28 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -62.95 -37.56 87.54 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.15 0.432 . . . . 0.0 111.44 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -87.92 -9.81 52.49 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.18 -6.85 15.42 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 177.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 tt -74.72 -18.89 60.43 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.56 0.744 . . . . 0.0 111.074 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.41 -8.76 53.31 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.225 -0.297 . . . . 0.0 110.414 175.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.4 m -114.94 8.58 15.91 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.864 0.866 . . . . 0.0 111.159 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -67.58 131.8 46.33 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -99.45 -18.57 17.39 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 123.154 0.582 . . . . 0.0 112.499 -174.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.15 21.23 74.03 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -69.38 -7.91 41.77 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.34 0.656 . . . . 0.0 111.368 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.3 t -158.05 173.08 17.29 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.0 0.92 . . . . 0.0 109.272 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.45 152.66 21.08 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.78 -33.3 75.36 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -172.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -73.46 -22.16 60.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.822 0.737 . . . . 0.0 111.151 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.6 m -68.56 -34.3 75.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -81.95 -32.07 30.94 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.169 0.587 . . . . 0.0 110.227 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.23 -35.52 71.49 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -64.18 -39.77 94.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -67.31 -36.44 81.5 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-O 119.714 -0.184 . . . . 0.0 110.764 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.15 -38.11 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.77 -40.25 79.79 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 118.097 0.408 . . . . 0.0 111.904 -174.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.33 -34.66 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.049 0 CA-C-N 118.177 0.444 . . . . 0.0 110.413 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -80.4 -16.87 53.46 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.25 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.5 m -82.63 -39.6 21.92 Favored 'General case' 0 CA--C 1.523 -0.083 0 CA-C-N 118.422 0.555 . . . . 0.0 109.524 174.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.73 -30.84 64.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 122.44 -0.163 . . . . 0.0 110.817 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -81.06 -27.03 35.88 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.269 -0.269 . . . . 0.0 111.278 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -75.14 -23.18 57.78 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -74.13 -32.34 63.13 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 121.876 -0.515 . . . . 0.0 110.905 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.99 -30.34 65.14 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.039 -0.413 . . . . 0.0 111.332 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.1 m . . . . . 0 N--CA 1.46 0.065 0 CA-C-N 117.715 0.234 . . . . 0.0 111.37 -179.147 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.826 0.346 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.08 -14.87 53.6 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.242 -0.286 . . . . 0.0 111.078 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -52.31 14.01 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 m -77.15 -25.99 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 117.842 0.292 . . . . 0.0 110.838 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.1 tp -74.18 -28.37 61.26 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.0 t -77.55 -35.12 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 175.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -70.74 -28.53 64.78 Favored 'General case' 0 C--N 1.338 0.074 0 O-C-N 121.91 -0.494 . . . . 0.0 110.523 176.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -72.51 -30.29 64.36 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 122.29 -0.256 . . . . 0.0 110.473 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.5 t -75.31 -28.43 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -72.09 -15.74 62.01 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.024 -0.422 . . . . 0.0 110.893 176.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -83.98 4.3 30.39 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.49 0.316 . . . . 0.0 110.93 173.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.47 6.88 63.91 Favored Glycine 0 CA--C 1.527 0.833 0 CA-C-O 119.768 -0.462 . . . . 0.0 112.848 175.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -78.76 108.76 12.43 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.249 1.024 . . . . 0.0 109.66 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -80.12 -26.84 39.3 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.625 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.6 mmpt? -72.3 -30.17 64.54 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.37 67.84 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -74.8 -29.92 61.25 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -65.84 -35.33 80.37 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 122.054 -0.404 . . . . 0.0 110.273 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.36 -25.25 59.4 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 122.02 -0.425 . . . . 0.0 109.926 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -76.38 -29.68 57.22 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.3 t -71.51 -46.1 65.06 Favored 'Isoleucine or valine' 0 C--N 1.339 0.123 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.9 t -64.32 -23.79 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 CA-C-N 117.775 0.261 . . . . 0.0 110.429 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -75.69 -32.73 60.22 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.606 0.362 . . . . 0.0 111.596 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -115.55 -2.86 12.42 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -59.85 -30.61 69.08 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.652 1.115 . . . . 0.0 113.027 -173.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -85.4 -27.65 25.65 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 118.097 0.408 . . . . 0.0 110.888 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -82.12 -33.34 29.73 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.494 0.318 . . . . 0.0 110.557 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 p -80.99 -29.33 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.38 -26.47 65.58 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.172 -0.33 . . . . 0.0 110.254 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 m -79.25 -22.4 44.82 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.516 0.326 . . . . 0.0 110.33 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.3 tp -84.22 -43.39 14.94 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.446 0.298 . . . . 0.0 111.743 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 m -78.97 -21.22 12.75 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.375 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.4 t -61.34 -15.58 37.39 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 122.257 -0.277 . . . . 0.0 110.929 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -80.22 -10.46 59.76 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.347 0.659 . . . . 0.0 111.41 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -127.1 -14.1 5.54 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.0 m -137.14 154.67 75.97 Favored Pre-proline 0 N--CA 1.461 0.122 0 CA-C-N 118.403 0.547 . . . . 0.0 110.264 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.94 161.1 47.25 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.254 2.636 . . . . 0.0 109.889 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.8 p -60.26 -18.83 51.71 Favored 'General case' 0 CA--C 1.526 0.055 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.27 -14.41 82.36 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 119.276 -0.735 . . . . 0.0 112.487 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -118.45 -6.95 10.72 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 117.997 0.898 . . . . 0.0 112.143 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.441 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 49.9 t -55.95 -50.86 84.81 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-O 118.291 -0.861 . . . . 0.0 112.217 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.4 Cg_endo -66.51 -22.45 51.53 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 121.579 1.519 . . . . 0.0 111.95 -173.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -86.21 -29.59 23.06 Favored 'General case' 0 C--N 1.335 -0.042 0 CA-C-N 118.045 0.384 . . . . 0.0 111.088 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.6 t -81.81 -31.01 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -69.91 -37.06 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -72.54 -26.35 61.71 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.763 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -81.73 -25.42 35.41 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.89 -31.5 59.25 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.133 0.173 . . . . 0.0 111.211 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -81.93 -33.89 30.13 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.02 0.373 . . . . 0.0 110.812 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.5 -29.64 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 118.741 0.701 . . . . 0.0 109.925 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -71.73 -34.41 69.53 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.68 -33.2 62.42 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.265 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -62.35 -39.8 94.3 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 118.009 0.368 . . . . 0.0 111.56 -176.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -92.91 -8.21 43.94 Favored 'General case' 0 C--N 1.339 0.127 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -103.77 -8.65 19.66 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.115 0.416 . . . . 0.0 111.915 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.7 tt -75.29 -18.41 60.06 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.708 0.803 . . . . 0.0 111.207 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.9 -8.86 52.2 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 122.286 -0.258 . . . . 0.0 110.539 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.7 m -114.86 7.14 15.64 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.006 0.922 . . . . 0.0 111.05 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -67.75 129.83 41.13 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -99.5 -15.96 18.49 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.07 22.29 71.67 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -69.22 -7.76 39.63 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.141 0.577 . . . . 0.0 110.96 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.5 t -156.9 172.02 19.39 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.112 0.965 . . . . 0.0 108.947 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.18 153.67 21.55 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -63.95 -33.38 75.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.634 -0.426 . . . . 0.0 112.074 -173.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -71.18 -23.48 62.05 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.677 0.671 . . . . 0.0 110.978 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.4 m -69.63 -34.41 74.02 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -82.27 -29.96 30.9 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 122.997 0.519 . . . . 0.0 110.722 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.16 -40.84 62.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.42 -40.83 97.81 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -65.25 -38.02 89.03 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.446 0.699 . . . . 0.0 111.017 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.2 mt -77.51 -36.37 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.55 -37.91 80.35 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.904 0.32 . . . . 0.0 111.755 -175.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.9 p -74.41 -33.73 34.25 Favored 'Isoleucine or valine' 0 C--N 1.337 0.037 0 CA-C-N 118.336 0.516 . . . . 0.0 110.139 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -78.98 -17.06 56.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 119.434 -0.317 . . . . 0.0 110.985 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.9 m -84.97 -38.65 19.02 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 118.325 0.511 . . . . 0.0 110.164 176.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.25 -28.95 61.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 122.34 -0.225 . . . . 0.0 111.139 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -80.27 -31.64 38.31 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.047 -0.408 . . . . 0.0 110.679 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -76.01 -19.15 58.92 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.068 0.461 . . . . 0.0 109.903 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -74.46 -30.07 61.72 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 121.865 -0.522 . . . . 0.0 110.521 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.12 -38.42 69.29 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.015 0.371 . . . . 0.0 111.221 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 C--N 1.339 0.111 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.609 178.586 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.8 p . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 121.113 0.482 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -66.78 -14.57 62.77 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 122.225 -0.297 . . . . 0.0 111.482 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -72.61 -43.23 63.58 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.043 -0.41 . . . . 0.0 110.511 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.4 p -81.8 -24.23 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 118.027 0.376 . . . . 0.0 110.252 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.2 tp -71.65 -28.1 63.52 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.2 t -75.7 -35.48 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.18 -29.04 66.94 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-N 118.401 0.546 . . . . 0.0 110.233 177.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -72.83 -29.95 63.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 122.311 -0.243 . . . . 0.0 110.65 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.3 t -75.64 -27.78 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -71.92 -15.95 62.1 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.969 0.349 . . . . 0.0 110.621 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -83.45 4.73 26.47 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.507 0.323 . . . . 0.0 110.94 172.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.19 10.47 68.62 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-O 119.615 -0.547 . . . . 0.0 112.892 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -77.53 114.56 16.49 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.187 0.994 . . . . 0.0 110.097 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -80.05 -26.93 39.5 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.695 0.398 . . . . 0.0 111.347 -179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.6 mmpt? -77.87 -30.24 50.78 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -177.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.53 -29.19 68.53 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -76.2 -31.94 58.71 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -62.3 -36.67 82.84 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 117.982 0.355 . . . . 0.0 110.508 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.77 -32.06 69.06 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.0 tp -71.42 -29.61 65.1 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.434 0.294 . . . . 0.0 110.482 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.3 t -72.04 -39.54 66.14 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -67.73 -24.21 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 O-C-N 122.053 -0.404 . . . . 0.0 110.477 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -75.0 -32.72 61.72 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-O 119.259 -0.4 . . . . 0.0 111.577 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -115.48 0.22 13.29 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 -175.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -60.99 -28.6 69.14 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.569 1.077 . . . . 0.0 112.89 -175.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -85.23 -26.33 26.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.385 0.538 . . . . 0.0 110.597 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.698 ' HE2' ' CZ ' ' A' ' 71' ' ' TYR . 2.4 tmtm? -74.51 -44.71 50.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.536 0.735 . . . . 0.0 110.646 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.405 HG11 ' CE2' ' A' ' 54' ' ' PHE . 11.5 p -74.11 -32.85 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.081 -177.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.98 -25.81 65.61 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.526 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.8 m -82.07 -21.53 36.8 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.046 0.539 . . . . 0.0 110.891 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -87.96 -39.78 14.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.675 0.39 . . . . 0.0 111.453 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -81.36 -23.7 10.33 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 CA-C-N 118.503 0.592 . . . . 0.0 111.094 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 99.0 p -62.27 -15.35 46.84 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.056 0.389 . . . . 0.0 110.696 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 -78.35 -8.57 58.59 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.415 0.686 . . . . 0.0 111.269 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -126.79 -17.86 4.86 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.7 m -133.65 153.59 80.24 Favored Pre-proline 0 CA--C 1.527 0.094 0 CA-C-N 118.551 0.614 . . . . 0.0 111.006 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.29 162.16 42.95 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.23 2.62 . . . . 0.0 109.825 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.7 p -59.92 -17.98 41.49 Favored 'General case' 0 C--N 1.338 0.086 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -174.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.38 -15.65 81.32 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.499 -0.611 . . . . 0.0 112.607 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -118.58 -5.88 10.71 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.669 0.734 . . . . 0.0 112.155 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.451 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.4 t -56.85 -50.1 90.03 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.903 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.5 Cg_endo -67.32 -22.54 45.88 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 121.402 1.401 . . . . 0.0 112.248 -175.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -82.39 -34.44 28.34 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.262 0.483 . . . . 0.0 110.458 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.7 t -79.04 -28.51 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 122.506 0.322 . . . . 0.0 110.195 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.6 t -72.73 -33.59 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.25 -24.24 60.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 119.565 -0.255 . . . . 0.0 111.067 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -81.87 -28.76 32.8 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 118.733 0.697 . . . . 0.0 110.094 174.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.04 75.77 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 121.876 -0.515 . . . . 0.0 111.364 -176.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CE2' HG11 ' A' ' 33' ' ' VAL . 34.9 m-85 -84.29 -32.39 24.39 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 118.219 0.463 . . . . 0.0 111.124 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.09 -30.45 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-N 118.723 0.692 . . . . 0.0 110.002 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -74.45 -32.16 62.51 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.89 -33.63 64.1 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 119.625 -0.226 . . . . 0.0 110.523 176.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -64.3 -37.89 89.1 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 118.418 0.554 . . . . 0.0 111.326 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -87.47 -10.82 50.8 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -106.92 -7.36 17.08 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 tt -74.41 -20.08 60.18 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.359 0.664 . . . . 0.0 110.822 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.99 -8.19 53.09 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.099 -0.376 . . . . 0.0 110.315 174.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.6 m -114.67 12.55 17.18 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.13 0.972 . . . . 0.0 111.225 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -64.93 131.45 46.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 -99.69 -18.44 17.27 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 122.963 0.505 . . . . 0.0 111.993 -173.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.52 20.87 79.91 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 112.082 -0.407 . . . . 0.0 112.082 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -68.76 -10.31 55.82 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 117.521 0.661 . . . . 0.0 111.03 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.7 t -154.72 173.27 16.64 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.256 1.022 . . . . 0.0 108.469 175.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.15 153.56 17.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -62.67 -31.48 72.38 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 122.193 -0.317 . . . . 0.0 111.803 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.698 ' CZ ' ' HE2' ' A' ' 32' ' ' LYS . 62.0 t80 -70.32 -31.18 68.37 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.066 0.394 . . . . 0.0 111.095 -178.218 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.0 m -64.76 -34.73 79.02 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -81.99 -34.79 29.49 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.695 0.798 . . . . 0.0 111.107 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -35.74 81.97 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -66.85 -41.8 86.76 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.331 -0.366 . . . . 0.0 111.191 -177.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -62.86 -41.95 99.57 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 118.514 0.597 . . . . 0.0 111.191 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.9 mt -69.55 -35.19 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.71 85.22 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -175.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.0 p -76.42 -35.36 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 118.287 0.494 . . . . 0.0 110.35 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -77.35 -17.05 58.58 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 122.265 -0.272 . . . . 0.0 111.082 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.9 m -80.68 -38.46 28.96 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 118.368 0.531 . . . . 0.0 109.69 174.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.0 -29.15 60.8 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.349 -0.22 . . . . 0.0 110.984 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -79.94 -28.53 39.67 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.131 0.423 . . . . 0.0 110.789 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -73.36 -21.63 60.48 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -75.56 -29.9 59.52 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 119.559 -0.258 . . . . 0.0 110.678 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.5 mt -77.66 -32.44 53.2 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 118.13 0.423 . . . . 0.0 111.91 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.456 -0.148 0 CA-C-N 118.42 0.555 . . . . 0.0 110.02 176.761 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 C--O 1.227 -0.082 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.19 -17.45 62.42 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.678 -0.638 . . . . 0.0 111.415 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -76.61 -51.52 11.44 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.976 -0.452 . . . . 0.0 110.357 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.34 -28.11 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.048 0 CA-C-N 117.662 0.21 . . . . 0.0 110.625 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp -72.26 -28.9 63.43 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.7 t -77.12 -35.28 22.72 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 CA-C-O 119.42 -0.324 . . . . 0.0 110.758 175.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.52 -29.42 68.82 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 118.355 0.525 . . . . 0.0 110.307 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -80.09 -28.53 39.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.02 0.528 . . . . 0.0 111.71 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.75 -41.46 47.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 118.055 0.389 . . . . 0.0 110.914 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -74.26 -14.83 60.97 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.652 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -69.68 -10.77 59.59 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.687 0.795 . . . . 0.0 110.655 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.52 5.89 36.24 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.191 -0.783 . . . . 0.0 113.107 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -80.14 117.31 20.83 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.609 1.204 . . . . 0.0 110.377 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -80.62 -27.45 37.29 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 122.572 0.349 . . . . 0.0 111.602 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.596 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.9 mmpt? -78.08 -29.5 49.17 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -176.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -26.89 66.95 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -80.41 -36.24 34.03 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.002 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -62.17 -31.78 72.32 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.913 -0.492 . . . . 0.0 110.003 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mp -78.37 -28.07 46.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 tp -75.57 -31.17 59.9 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.813 0.445 . . . . 0.0 110.297 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.9 t -68.57 -48.83 70.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.64 -23.85 28.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 117.665 0.211 . . . . 0.0 110.59 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -65.84 -35.22 80.05 Favored 'General case' 0 N--CA 1.457 -0.122 0 O-C-N 122.149 -0.344 . . . . 0.0 110.966 178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -114.26 0.09 14.06 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -57.72 -40.64 80.07 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 118.785 0.721 . . . . 0.0 112.304 -173.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -81.58 -24.22 36.63 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 121.953 -0.467 . . . . 0.0 110.876 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -83.19 -36.42 24.68 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 122.393 0.277 . . . . 0.0 110.964 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 p -76.78 -27.77 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.19 -33.55 75.63 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.4 m -74.62 -22.05 59.13 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 122.22 0.208 . . . . 0.0 110.843 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.1 tp -82.31 -42.54 18.64 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 119.168 -0.444 . . . . 0.0 111.582 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 m -79.01 -21.57 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.038 0 CA-C-N 118.959 0.8 . . . . 0.0 111.324 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.9 m -60.03 -15.5 23.29 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.097 0.408 . . . . 0.0 111.037 176.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -81.26 -10.7 59.54 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 123.085 0.554 . . . . 0.0 111.52 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.4 ' CE2' HG23 ' A' ' 79' ' ' VAL . 39.5 m-85 -127.06 -13.21 5.73 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -136.87 153.34 75.46 Favored Pre-proline 0 N--CA 1.463 0.223 0 CA-C-N 118.399 0.545 . . . . 0.0 110.729 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -70.09 160.92 47.9 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 123.642 2.895 . . . . 0.0 109.814 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.8 p -59.63 -17.14 31.12 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -174.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.17 -15.6 81.3 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 119.507 -0.607 . . . . 0.0 112.371 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -118.52 -6.01 10.73 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.839 0.82 . . . . 0.0 112.316 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.414 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 71.3 t -57.01 -51.89 78.24 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-O 118.381 -0.819 . . . . 0.0 112.097 -178.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.3 Cg_endo -67.55 -22.96 43.81 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 CA-C-N 120.842 1.337 . . . . 0.0 112.057 -174.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -84.11 -31.87 25.03 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.175 -0.328 . . . . 0.0 110.836 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.6 t -81.49 -29.11 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.053 0 C-N-CA 122.777 0.431 . . . . 0.0 109.995 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.24 -38.05 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -72.65 -28.11 62.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.36 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -78.63 -23.11 46.02 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.133 -0.355 . . . . 0.0 110.279 176.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.95 -30.92 56.26 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 119.606 -0.235 . . . . 0.0 111.364 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -82.95 -33.81 26.62 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 117.995 0.361 . . . . 0.0 110.973 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.87 -29.09 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 118.695 0.679 . . . . 0.0 110.274 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -74.81 -32.67 62.04 Favored 'General case' 0 C--N 1.34 0.162 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.16 -35.79 69.13 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -61.83 -37.93 86.3 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.174 0.443 . . . . 0.0 111.686 -177.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -87.99 -9.9 52.05 Favored 'General case' 0 N--CA 1.457 -0.081 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.73 -5.28 15.02 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.2 tt -75.3 -22.97 57.31 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.356 0.662 . . . . 0.0 111.505 -175.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -70.8 -8.41 52.26 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.938 -0.476 . . . . 0.0 110.067 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m -110.97 9.36 22.22 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.804 0.842 . . . . 0.0 110.929 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -67.17 133.72 50.35 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.6 mtt85 -99.64 -17.9 17.58 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -174.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.24 22.08 76.75 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -68.59 -9.06 47.27 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.217 0.607 . . . . 0.0 110.914 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.2 t -158.41 174.77 14.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.321 1.049 . . . . 0.0 109.271 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.36 155.58 14.43 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -64.31 -32.83 74.58 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 121.947 -0.47 . . . . 0.0 112.04 -173.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -71.5 -25.55 62.3 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.741 0.7 . . . . 0.0 111.078 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 m -66.51 -35.53 80.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -81.82 -33.93 30.48 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.029 0.532 . . . . 0.0 110.393 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.27 -34.65 75.08 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -65.15 -39.52 93.11 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -67.09 -36.71 82.55 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 117.875 0.307 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.7 mt -73.8 -38.07 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.1 75.97 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -175.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.4 HG23 ' CE2' ' A' ' 40' ' ' TYR . 9.3 p -72.41 -31.67 39.24 Favored 'Isoleucine or valine' 0 C--N 1.34 0.158 0 CA-C-N 118.154 0.434 . . . . 0.0 110.316 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -83.01 -22.16 33.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 119.428 -0.32 . . . . 0.0 111.272 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.5 m -75.02 -39.06 61.33 Favored 'General case' 0 N--CA 1.458 -0.065 0 CA-C-N 118.741 0.701 . . . . 0.0 109.613 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.72 -28.2 60.69 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -81.39 -31.31 33.31 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.273 -0.267 . . . . 0.0 110.548 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -71.95 -22.76 61.41 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -74.33 -29.48 61.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.234 -0.291 . . . . 0.0 110.968 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.48 -26.33 60.86 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 122.041 -0.412 . . . . 0.0 111.434 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.338 0.077 0 CA-C-N 117.973 0.352 . . . . 0.0 111.113 177.427 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 N--CA 1.456 -0.138 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -66.43 -15.16 63.11 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 121.968 -0.457 . . . . 0.0 111.361 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -77.95 -43.61 29.29 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.882 -0.511 . . . . 0.0 110.772 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -83.75 -24.46 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 122.272 0.229 . . . . 0.0 110.691 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.0 tp -78.9 -29.23 44.2 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.314 -0.241 . . . . 0.0 110.688 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 t -77.04 -37.97 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-O 119.557 -0.258 . . . . 0.0 110.866 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.94 -22.93 59.48 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.225 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -70.95 -31.55 68.16 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.8 t -73.27 -28.7 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -71.99 -15.21 62.05 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 117.895 0.316 . . . . 0.0 110.922 176.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -84.48 4.85 29.89 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.853 0.461 . . . . 0.0 111.163 173.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.52 8.13 64.35 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.647 -0.529 . . . . 0.0 113.104 176.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -79.93 109.06 14.01 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.264 1.032 . . . . 0.0 109.972 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -80.33 -26.37 38.77 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 122.238 -0.289 . . . . 0.0 110.63 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.627 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.3 mmpt? -71.84 -31.13 66.19 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 121.933 -0.479 . . . . 0.0 109.768 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -28.98 68.65 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -74.85 -31.03 61.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -64.33 -36.07 82.92 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.907 -0.496 . . . . 0.0 110.317 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.13 -25.28 59.67 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.3 tp -75.1 -30.05 60.79 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.0 t -71.52 -44.46 70.78 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.7 -23.75 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 O-C-N 122.19 -0.318 . . . . 0.0 110.49 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -73.66 -36.44 65.36 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.696 0.398 . . . . 0.0 111.855 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -114.6 -1.45 13.35 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -58.96 -30.68 68.08 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 119.263 0.938 . . . . 0.0 112.709 -174.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -87.12 -25.73 23.98 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 118.358 0.527 . . . . 0.0 111.023 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -82.69 -33.38 27.67 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.405 0.282 . . . . 0.0 110.508 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -80.85 -29.8 11.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.07 -27.65 65.82 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.7 m -78.29 -22.27 48.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.27 0.228 . . . . 0.0 110.595 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -81.5 -45.77 15.48 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 119.405 -0.331 . . . . 0.0 111.535 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 m -78.05 -21.32 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.066 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.136 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -62.28 -15.87 50.28 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 117.761 0.255 . . . . 0.0 110.641 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -79.04 -9.02 59.42 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.247 0.619 . . . . 0.0 111.035 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.451 ' CE2' HG23 ' A' ' 79' ' ' VAL . 61.4 m-85 -126.91 -19.69 4.38 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.1 m -133.24 153.63 80.75 Favored Pre-proline 0 N--CA 1.461 0.092 0 CA-C-N 118.386 0.539 . . . . 0.0 110.767 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.33 161.33 46.32 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 123.308 2.672 . . . . 0.0 109.899 177.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.0 p -59.3 -18.34 36.91 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.21 -14.94 81.82 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.611 -0.549 . . . . 0.0 112.556 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -118.89 -5.97 10.56 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.045 0.923 . . . . 0.0 111.866 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.445 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.4 t -57.36 -50.98 85.1 Favored Pre-proline 0 CA--C 1.53 0.181 0 CA-C-O 118.411 -0.804 . . . . 0.0 111.745 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.4 Cg_endo -66.72 -22.25 50.37 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 121.53 1.486 . . . . 0.0 111.693 -175.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -84.39 -31.89 24.46 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 117.97 0.35 . . . . 0.0 110.646 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.3 t -82.46 -28.3 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 C-N-CA 122.48 0.312 . . . . 0.0 110.404 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.6 t -73.01 -35.44 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -74.88 -20.4 59.75 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 110.518 -0.178 . . . . 0.0 110.518 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -85.09 -20.45 30.34 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.728 -0.607 . . . . 0.0 110.078 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.41 -35.25 25.19 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.184 -0.322 . . . . 0.0 111.48 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -80.42 -32.21 37.45 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 118.372 0.533 . . . . 0.0 111.169 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.55 -30.92 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 O-C-N 121.677 -0.639 . . . . 0.0 109.483 -178.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -72.28 -32.81 66.95 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.05 -33.27 61.71 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.509 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -62.12 -39.54 92.9 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 118.262 0.483 . . . . 0.0 111.234 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -92.54 -6.1 50.35 Favored 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.72 -8.18 16.16 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tt -73.26 -17.77 61.29 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 123.206 0.602 . . . . 0.0 110.953 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.2 -8.5 50.41 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 122.014 -0.429 . . . . 0.0 110.686 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.4 m -114.59 3.29 14.79 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.705 0.802 . . . . 0.0 111.468 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -69.07 119.96 14.18 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -99.97 -6.6 26.33 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -174.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.51 28.77 46.57 Favored Glycine 0 CA--C 1.526 0.729 0 CA-C-O 119.761 -0.466 . . . . 0.0 113.209 171.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -70.66 -6.97 40.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 117.867 0.833 . . . . 0.0 111.135 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.8 t -157.36 174.22 15.75 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.676 0.79 . . . . 0.0 109.18 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.69 154.62 14.21 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -63.23 -33.91 76.52 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -173.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -73.41 -22.23 60.29 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 120.094 -0.642 . . . . 0.0 111.235 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.3 m -67.45 -35.28 78.91 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.705 -0.622 . . . . 0.0 109.328 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -82.55 -27.26 31.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.438 0.695 . . . . 0.0 111.083 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -75.11 -41.66 58.07 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -61.8 -37.63 85.09 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.7 tpt85 -66.12 -38.99 89.57 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.771 0.828 . . . . 0.0 110.772 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.9 mt -77.74 -36.85 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.44 -36.47 73.97 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -175.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.451 HG23 ' CE2' ' A' ' 40' ' ' TYR . 8.0 p -78.05 -27.41 14.83 Favored 'Isoleucine or valine' 0 C--N 1.338 0.075 0 CA-C-N 118.064 0.393 . . . . 0.0 110.313 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -82.17 -20.58 37.59 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 122.414 -0.179 . . . . 0.0 110.548 178.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.6 m -82.65 -40.71 20.35 Favored 'General case' 0 N--CA 1.456 -0.133 0 O-C-N 121.811 -0.555 . . . . 0.0 110.335 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.56 -30.09 64.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.779 0.263 . . . . 0.0 111.564 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -83.0 -30.23 28.32 Favored 'General case' 0 N--CA 1.457 -0.119 0 O-C-N 122.264 -0.273 . . . . 0.0 110.939 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -74.23 -21.88 59.59 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -72.45 -32.98 66.72 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.729 0.412 . . . . 0.0 110.717 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.88 -30.1 66.38 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 122.196 -0.315 . . . . 0.0 111.611 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--N 1.339 0.142 0 CA-C-N 117.795 0.271 . . . . 0.0 111.613 179.419 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.8 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.149 0.499 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -65.11 -17.66 64.65 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 122.071 -0.393 . . . . 0.0 111.108 176.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -68.53 -42.82 77.91 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.925 -0.485 . . . . 0.0 110.746 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 p -84.31 -25.62 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 122.546 0.338 . . . . 0.0 110.679 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.6 tp -79.73 -29.99 40.75 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 119.744 -0.17 . . . . 0.0 110.733 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.8 t -75.14 -39.43 43.36 Favored 'Isoleucine or valine' 0 C--N 1.337 0.062 0 CA-C-N 118.146 0.43 . . . . 0.0 110.381 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.82 -21.61 60.94 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.856 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -72.92 -30.87 64.23 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 117.857 0.299 . . . . 0.0 110.524 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -73.83 -28.44 24.23 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -71.74 -15.68 62.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.939 -0.476 . . . . 0.0 111.164 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -84.57 4.46 32.02 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.75 0.42 . . . . 0.0 111.037 172.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.54 9.14 63.32 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.609 -0.55 . . . . 0.0 113.152 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -80.56 110.9 16.47 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 118.301 1.05 . . . . 0.0 109.887 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -80.27 -28.95 38.29 Favored 'General case' 0 N--CA 1.457 -0.111 0 O-C-N 122.309 -0.245 . . . . 0.0 110.502 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.614 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.8 mmpt? -71.17 -30.26 66.21 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.85 -28.48 68.38 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -76.05 -29.84 58.19 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 122.226 -0.296 . . . . 0.0 110.339 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -65.01 -35.86 82.54 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 122.045 -0.41 . . . . 0.0 110.333 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.25 -30.35 64.78 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.4 tp -70.71 -31.39 68.23 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.58 -42.61 83.59 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -65.46 -24.2 34.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 O-C-N 122.445 -0.159 . . . . 0.0 110.876 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -75.83 -31.4 59.35 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -115.01 -2.93 12.69 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -175.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -59.46 -31.31 69.2 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.467 1.031 . . . . 0.0 112.922 -173.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -87.16 -26.25 23.67 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.187 0.449 . . . . 0.0 110.917 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -81.69 -34.98 30.35 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.434 0.294 . . . . 0.0 110.451 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -79.14 -28.99 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.67 -26.55 65.37 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 m -79.29 -22.16 45.02 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.387 0.275 . . . . 0.0 110.326 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.7 tp -83.1 -44.63 14.92 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.533 0.333 . . . . 0.0 111.814 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.8 m -78.55 -20.15 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 119.939 -0.705 . . . . 0.0 111.433 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 t -61.29 -16.14 42.56 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.041 0.448 . . . . 0.0 110.844 175.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -79.38 -10.92 59.91 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.962 0.505 . . . . 0.0 111.519 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -126.94 -17.47 4.88 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -176.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.6 m -133.72 154.11 80.41 Favored Pre-proline 0 C--O 1.232 0.142 0 CA-C-N 118.379 0.536 . . . . 0.0 110.575 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.85 161.61 45.28 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.36 2.706 . . . . 0.0 109.666 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -59.29 -20.13 51.84 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 122.906 0.482 . . . . 0.0 112.288 -174.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.88 -15.04 81.12 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 119.389 -0.673 . . . . 0.0 112.696 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -118.58 -5.67 10.72 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.049 0.924 . . . . 0.0 112.057 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.433 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 53.2 t -56.59 -51.87 77.85 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.955 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.9 Cg_endo -66.94 -22.75 47.97 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 121.677 1.585 . . . . 0.0 112.05 -174.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.44 -32.84 23.85 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 118.046 0.384 . . . . 0.0 110.77 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.8 t -81.02 -29.26 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 122.492 0.317 . . . . 0.0 110.318 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 37.9 t -71.02 -39.16 74.5 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -72.41 -26.1 61.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.522 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -78.98 -23.67 44.33 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.66 -29.02 45.49 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.263 0.225 . . . . 0.0 111.168 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -83.02 -34.91 26.18 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 117.951 0.341 . . . . 0.0 110.982 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.08 -27.74 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 118.565 0.62 . . . . 0.0 109.97 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -74.83 -32.71 62.01 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.17 -34.44 63.8 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -61.41 -37.99 85.46 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 122.081 -0.387 . . . . 0.0 111.63 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -89.8 -9.39 49.38 Favored 'General case' 0 C--N 1.335 -0.059 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.57 -6.64 14.83 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.8 tt -74.16 -19.13 60.66 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 123.149 0.58 . . . . 0.0 111.115 -177.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -71.18 -7.43 46.66 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 122.216 -0.303 . . . . 0.0 110.682 176.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -114.89 8.47 15.95 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.925 0.89 . . . . 0.0 111.017 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -66.07 131.39 46.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -99.44 -19.88 16.73 Favored 'General case' 0 N--CA 1.46 0.048 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -175.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.5 21.27 75.47 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -69.0 -7.58 36.78 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 117.435 0.618 . . . . 0.0 111.007 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.2 t -156.49 171.85 19.56 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.308 1.043 . . . . 0.0 109.061 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.16 154.23 16.48 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -63.37 -35.1 79.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.872 -0.518 . . . . 0.0 112.041 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -73.26 -21.76 60.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.553 0.615 . . . . 0.0 111.282 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.6 m -72.46 -31.07 65.14 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.921 -0.487 . . . . 0.0 109.768 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -82.07 -30.14 31.48 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.905 0.482 . . . . 0.0 110.217 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 tt -73.47 -39.83 64.6 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -63.14 -38.54 91.59 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.53 0.732 . . . . 0.0 109.716 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -68.23 -37.09 80.46 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.807 0.843 . . . . 0.0 110.66 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.1 mt -77.06 -35.62 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.24 76.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.228 0.467 . . . . 0.0 111.842 -175.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.6 p -73.92 -32.86 35.06 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 CA-C-N 118.136 0.426 . . . . 0.0 110.137 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -81.52 -16.78 50.72 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 119.569 -0.253 . . . . 0.0 111.371 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.7 m -84.99 -38.89 18.71 Favored 'General case' 0 N--CA 1.458 -0.048 0 CA-C-N 118.392 0.542 . . . . 0.0 109.902 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.42 -28.97 62.28 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 122.334 -0.229 . . . . 0.0 111.163 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -83.07 -30.76 27.74 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.987 0.358 . . . . 0.0 110.762 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -72.24 -22.45 61.24 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -73.9 -31.48 63.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.88 -0.513 . . . . 0.0 110.466 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.06 -22.99 63.99 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.986 -0.446 . . . . 0.0 111.785 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.461 0.105 0 CA-C-N 117.922 0.328 . . . . 0.0 111.759 178.247 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.5 p . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 121.229 0.538 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.47 -15.39 37.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.732 0.413 . . . . 0.0 112.11 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -68.65 -47.57 66.24 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.211 0.46 . . . . 0.0 110.879 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.1 p -83.48 -25.1 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 O-C-N 122.443 -0.16 . . . . 0.0 110.587 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.0 tp -72.68 -28.45 62.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.0 t -78.02 -30.75 16.29 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.38 -30.25 68.2 Favored 'General case' 0 C--N 1.339 0.116 0 O-C-N 121.724 -0.61 . . . . 0.0 110.275 174.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -76.66 -30.75 56.93 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 111.655 0.242 . . . . 0.0 111.655 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.8 t -75.85 -35.78 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.057 0 O-C-N 121.993 -0.442 . . . . 0.0 111.28 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -75.19 -15.29 60.57 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.493 0.588 . . . . 0.0 111.123 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -77.5 1.62 18.78 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.668 0.387 . . . . 0.0 111.408 170.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.67 5.45 53.85 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.347 -0.696 . . . . 0.0 113.785 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -81.7 110.89 17.46 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.666 1.233 . . . . 0.0 110.03 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.9 tm0? -80.58 -26.82 37.67 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 122.373 -0.204 . . . . 0.0 110.936 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.612 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.0 mmpt? -73.71 -31.11 63.23 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 122.006 -0.434 . . . . 0.0 109.956 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.66 -27.01 67.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -75.97 -31.85 59.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -62.93 -35.62 80.71 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 121.915 -0.49 . . . . 0.0 110.205 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.09 -31.26 65.91 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.8 tp -71.45 -31.34 67.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.2 t -70.14 -41.17 78.94 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.4 t -66.12 -24.42 33.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 118.012 0.369 . . . . 0.0 110.613 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -74.67 -32.48 62.23 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 117.936 0.335 . . . . 0.0 111.59 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -115.38 -3.64 12.42 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -58.51 -32.92 69.27 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.602 1.092 . . . . 0.0 112.893 -173.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -87.18 -24.94 24.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.49 0.586 . . . . 0.0 111.101 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -81.5 -35.45 30.4 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.542 0.337 . . . . 0.0 110.217 -177.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.3 p -79.09 -30.56 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.29 -29.26 68.0 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.165 -0.334 . . . . 0.0 110.367 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.1 m -78.71 -22.37 46.75 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.287 -0.258 . . . . 0.0 110.76 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.7 tp -81.71 -44.66 16.78 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.253 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.1 m -76.76 -21.32 14.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.728 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -62.1 -16.01 49.35 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.349 0.26 . . . . 0.0 110.834 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -82.73 -6.57 59.47 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 122.154 -0.341 . . . . 0.0 111.551 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -126.91 -14.76 5.53 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.3 m -136.01 154.99 77.97 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 118.838 0.745 . . . . 0.0 111.301 176.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -59.27 157.06 32.04 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.486 2.791 . . . . 0.0 111.015 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.0 p -63.24 -18.29 63.38 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.52 -11.94 84.77 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-O 119.398 -0.668 . . . . 0.0 112.038 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -117.3 -5.76 11.3 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.109 0.954 . . . . 0.0 111.886 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.436 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 49.5 t -57.78 -51.53 81.08 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.932 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 59.5 Cg_endo -66.11 -23.38 53.27 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 121.396 1.397 . . . . 0.0 112.313 -174.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -83.32 -31.99 26.55 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.235 0.47 . . . . 0.0 110.513 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.0 t -81.99 -27.08 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 122.44 0.296 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.95 -36.42 51.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.89 -21.68 60.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 117.78 0.264 . . . . 0.0 110.731 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -84.79 -21.39 29.95 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.758 -0.589 . . . . 0.0 110.32 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.04 -35.04 29.18 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.316 0.246 . . . . 0.0 111.277 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -80.02 -33.53 39.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 118.089 0.404 . . . . 0.0 110.999 177.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.71 -29.47 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 O-C-N 121.932 -0.48 . . . . 0.0 109.855 -178.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -75.02 -32.03 61.51 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.5 -36.72 68.44 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 176.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -62.14 -36.45 81.84 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.038 0.381 . . . . 0.0 111.606 -177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -89.75 -8.11 52.97 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.96 -3.25 13.39 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -75.13 -21.27 58.95 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.279 0.632 . . . . 0.0 111.363 -177.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -70.74 -10.49 59.57 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 122.145 -0.347 . . . . 0.0 110.124 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.7 m -110.19 12.0 23.49 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.004 0.921 . . . . 0.0 111.065 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -66.6 135.05 53.55 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -99.56 -18.21 17.48 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 122.728 0.411 . . . . 0.0 111.856 -174.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.29 19.08 79.89 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -69.01 -9.57 53.13 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.043 0.537 . . . . 0.0 111.144 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.1 t -157.94 173.71 16.35 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.663 0.785 . . . . 0.0 109.314 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.03 155.12 11.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -64.34 -31.82 73.18 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -172.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -75.65 -22.23 56.95 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.645 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.9 m -66.65 -33.97 76.84 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -81.69 -34.74 30.48 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.705 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.5 -34.99 72.96 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -63.56 -41.46 98.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.103 0.561 . . . . 0.0 110.289 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -68.36 -36.83 79.79 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 117.741 0.246 . . . . 0.0 110.579 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.7 mt -71.54 -36.18 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.48 -39.58 77.58 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 117.946 0.339 . . . . 0.0 111.868 -175.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.62 -33.26 31.5 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.096 0 CA-C-N 118.412 0.551 . . . . 0.0 110.372 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -80.22 -16.91 53.72 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.458 -0.151 . . . . 0.0 111.056 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.3 m -82.94 -40.28 20.31 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 174.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.55 -30.47 61.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 122.216 -0.303 . . . . 0.0 110.953 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -80.63 -32.42 36.28 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.096 -0.377 . . . . 0.0 110.947 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -76.24 -17.08 59.66 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.24 -0.288 . . . . 0.0 110.26 177.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -75.03 -32.05 61.49 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.371 0.268 . . . . 0.0 110.7 175.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.81 -33.81 68.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.205 -0.31 . . . . 0.0 111.383 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 CA--C 1.523 -0.068 0 CA-C-N 117.556 0.162 . . . . 0.0 110.864 -179.138 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.4 p . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.729 0.3 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -61.21 -14.86 28.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 121.789 -0.569 . . . . 0.0 111.65 178.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -69.8 -44.68 69.54 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 118.291 0.496 . . . . 0.0 110.901 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 m -83.83 -23.65 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.467 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.8 tp -74.28 -30.08 61.94 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.4 t -76.16 -35.47 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.087 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -72.46 -25.23 61.36 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.159 -0.338 . . . . 0.0 110.388 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -75.27 -29.99 60.32 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.658 0.383 . . . . 0.0 110.626 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.03 -28.52 21.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 175.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -72.59 -15.87 61.74 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.223 -0.298 . . . . 0.0 110.529 176.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -83.63 4.0 30.36 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.778 0.431 . . . . 0.0 111.096 172.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.21 7.16 64.13 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 119.453 -0.637 . . . . 0.0 113.063 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -79.42 108.83 13.23 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 118.088 0.944 . . . . 0.0 110.153 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -80.18 -27.51 38.9 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.637 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -71.29 -30.77 66.65 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -28.58 68.37 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -74.22 -30.21 62.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.255 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -64.89 -36.57 84.78 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.181 -0.324 . . . . 0.0 110.29 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.22 -25.08 60.6 Favored 'General case' 0 C--O 1.232 0.157 0 O-C-N 122.09 -0.381 . . . . 0.0 110.466 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.1 tp -75.72 -28.45 58.56 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -73.29 -44.36 55.31 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.119 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.0 t -64.71 -23.8 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-N 117.795 0.27 . . . . 0.0 110.63 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -73.15 -37.71 66.5 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.102 0.561 . . . . 0.0 111.657 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -114.43 -0.82 13.65 Favored 'General case' 0 CA--C 1.527 0.08 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -175.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -58.82 -33.77 70.77 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.551 1.069 . . . . 0.0 112.788 -174.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -86.18 -24.24 26.21 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.46 0.573 . . . . 0.0 111.08 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -83.72 -34.17 24.95 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.211 0.205 . . . . 0.0 110.628 -177.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.89 -29.25 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.01 76.7 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 122.23 -0.293 . . . . 0.0 110.555 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.2 m -72.95 -22.08 60.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 117.545 0.157 . . . . 0.0 110.92 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.9 tp -81.26 -42.84 20.07 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 119.384 -0.341 . . . . 0.0 111.566 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.3 m -81.47 -18.65 11.47 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 CA-C-N 118.822 0.737 . . . . 0.0 111.552 -177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -60.73 -15.85 33.62 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 118.026 0.375 . . . . 0.0 110.746 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -80.23 -11.14 59.76 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 123.03 0.532 . . . . 0.0 111.318 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -126.94 -15.73 5.29 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -174.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.75 155.24 79.58 Favored Pre-proline 0 C--O 1.231 0.1 0 CA-C-N 119.095 0.862 . . . . 0.0 111.439 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.91 156.54 38.04 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 123.473 2.782 . . . . 0.0 110.967 174.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.1 t -59.94 -20.98 60.48 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.393 0.277 . . . . 0.0 111.714 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.42 -12.94 84.07 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 119.403 -0.665 . . . . 0.0 112.418 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -117.86 -3.89 11.16 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.145 0.972 . . . . 0.0 112.106 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.427 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 63.4 t -58.35 -52.06 77.34 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.444 178.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 63.8 Cg_endo -67.77 -22.39 43.34 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 121.569 1.513 . . . . 0.0 111.929 -175.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -83.17 -33.11 26.27 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 117.956 0.344 . . . . 0.0 110.726 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.8 t -82.08 -29.14 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 122.66 0.384 . . . . 0.0 110.617 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 t -69.56 -38.05 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -72.34 -30.31 64.62 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.173 -178.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -75.54 -21.74 57.66 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 122.077 -0.389 . . . . 0.0 110.25 176.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.8 -29.79 35.98 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 119.493 -0.289 . . . . 0.0 111.39 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -83.56 -35.27 24.89 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 118.244 0.474 . . . . 0.0 111.135 177.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.51 -29.53 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 118.639 0.654 . . . . 0.0 109.739 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -74.5 -37.19 63.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.598 174.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.6 -32.68 74.44 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -64.89 -38.4 90.86 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 121.935 -0.478 . . . . 0.0 111.175 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -91.79 -5.39 53.58 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.89 -12.38 14.58 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 117.986 0.357 . . . . 0.0 111.378 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 tt -74.97 -19.7 59.98 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.593 0.757 . . . . 0.0 111.155 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -71.78 -8.09 52.14 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.8 t -114.88 2.74 14.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.864 0.865 . . . . 0.0 110.748 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -65.57 130.69 44.18 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 83.1 mtm-85 -99.63 -15.71 18.48 Favored 'General case' 0 C--N 1.338 0.072 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -174.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.2 22.08 71.82 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -69.27 -8.09 42.83 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.596 0.759 . . . . 0.0 111.168 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.8 t -156.79 173.4 17.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.112 0.965 . . . . 0.0 109.21 176.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.92 153.29 17.66 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.25 -34.85 78.56 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.862 -0.524 . . . . 0.0 111.893 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -73.52 -23.31 59.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.488 0.585 . . . . 0.0 111.417 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.2 m -66.84 -35.27 79.67 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -82.0 -32.79 30.4 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.371 0.669 . . . . 0.0 110.934 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.73 -38.83 73.59 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -61.84 -38.56 88.68 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.029 0.532 . . . . 0.0 109.635 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -69.84 -32.87 71.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 119.596 -0.24 . . . . 0.0 111.381 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.7 mt -77.27 -36.93 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 CA-C-N 118.138 0.427 . . . . 0.0 110.168 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.65 -36.08 70.57 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 117.994 0.361 . . . . 0.0 111.775 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.0 p -76.07 -34.13 26.1 Favored 'Isoleucine or valine' 0 C--N 1.338 0.07 0 CA-C-N 118.133 0.424 . . . . 0.0 110.602 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.42 -17.13 43.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.2 m -87.14 -38.27 16.59 Favored 'General case' 0 C--N 1.335 -0.051 0 CA-C-N 118.571 0.623 . . . . 0.0 110.085 175.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.17 -28.44 64.25 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 122.054 -0.404 . . . . 0.0 111.024 177.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -83.64 -31.05 26.41 Favored 'General case' 0 C--O 1.232 0.184 0 O-C-N 122.097 -0.377 . . . . 0.0 110.923 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -72.37 -21.19 61.33 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 176.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -72.84 -33.65 66.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.069 -0.394 . . . . 0.0 110.654 176.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.79 -29.58 66.92 Favored 'General case' 0 N--CA 1.456 -0.138 0 O-C-N 122.185 -0.322 . . . . 0.0 111.83 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.458 -0.067 0 CA-C-N 118.085 0.402 . . . . 0.0 111.27 179.005 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 C--O 1.232 0.18 0 CA-C-O 121.053 0.454 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -65.66 -16.74 64.03 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 122.035 -0.415 . . . . 0.0 111.36 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -72.33 -42.92 64.84 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.906 -0.496 . . . . 0.0 111.003 -177.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.0 p -83.36 -24.4 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.7 tp -80.3 -30.43 38.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 122.343 -0.223 . . . . 0.0 110.465 -177.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.51 -39.18 40.32 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.056 0 O-C-N 122.214 -0.303 . . . . 0.0 110.805 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.9 -23.96 60.78 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.807 0.73 . . . . 0.0 110.598 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -72.95 -29.65 63.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 122.083 -0.386 . . . . 0.0 110.323 177.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.37 -26.02 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 O-C-N 122.128 -0.358 . . . . 0.0 110.18 174.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -71.13 -15.86 62.52 Favored 'General case' 0 C--N 1.34 0.173 0 O-C-N 121.98 -0.45 . . . . 0.0 110.332 175.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -82.79 3.59 28.8 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.665 0.386 . . . . 0.0 111.09 171.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.01 11.31 73.48 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.921 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -78.6 117.1 19.45 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 118.159 0.98 . . . . 0.0 110.628 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -80.0 -21.77 43.24 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.657 0.383 . . . . 0.0 111.986 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -76.17 -29.86 57.88 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.97 -30.74 65.58 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.328 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -80.62 -35.78 33.58 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.596 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -61.46 -34.63 75.78 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 122.001 -0.437 . . . . 0.0 110.384 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mp -76.86 -28.25 55.37 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.377 0.271 . . . . 0.0 110.528 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.6 tp -73.73 -28.61 61.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.576 0.35 . . . . 0.0 110.114 175.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -72.68 -46.07 55.41 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.24 -23.69 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 117.884 0.311 . . . . 0.0 110.437 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -73.7 -36.36 65.25 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.565 0.346 . . . . 0.0 111.654 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -115.03 0.26 13.6 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -175.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -60.98 -30.34 70.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 119.536 1.062 . . . . 0.0 113.135 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -82.93 -29.44 29.14 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.534 0.607 . . . . 0.0 110.445 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.666 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 8.2 tmtt? -72.25 -46.14 57.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.42 0.688 . . . . 0.0 110.943 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.38 -31.36 38.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.167 -177.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.73 -27.46 65.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 117.885 0.312 . . . . 0.0 110.389 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.7 m -80.46 -22.21 41.3 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.564 0.346 . . . . 0.0 110.356 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.0 tp -85.26 -42.22 14.85 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.832 0.453 . . . . 0.0 111.33 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 m -79.04 -21.29 12.69 Favored 'Isoleucine or valine' 0 C--N 1.338 0.094 0 CA-C-N 118.653 0.66 . . . . 0.0 110.543 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -60.84 -15.88 35.16 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 122.223 -0.298 . . . . 0.0 110.771 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -80.0 -10.94 59.81 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 122.807 0.443 . . . . 0.0 111.501 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -127.07 -14.34 5.52 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -176.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -137.77 153.6 74.05 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-N 118.388 0.54 . . . . 0.0 110.657 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.81 161.97 43.88 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.648 2.899 . . . . 0.0 110.157 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.2 p -60.14 -18.02 44.63 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 123.183 0.593 . . . . 0.0 112.551 -175.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.02 -15.85 81.1 Favored Glycine 0 CA--C 1.528 0.866 0 CA-C-O 119.575 -0.569 . . . . 0.0 112.508 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -118.73 -5.91 10.64 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 117.911 0.855 . . . . 0.0 111.982 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.446 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 53.8 t -56.99 -50.71 86.65 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.792 179.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.4 Cg_endo -67.44 -22.02 45.91 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 121.566 1.511 . . . . 0.0 111.876 -175.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.59 -33.79 23.29 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 122.113 -0.367 . . . . 0.0 110.624 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 78.6 t -80.13 -30.48 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.692 0.397 . . . . 0.0 110.162 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.6 t -70.3 -37.04 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -71.56 -28.41 63.83 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 121.126 -0.229 . . . . 0.0 110.748 -177.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -80.4 -27.73 38.02 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 117.878 0.308 . . . . 0.0 110.409 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.67 -32.3 72.03 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.054 -0.404 . . . . 0.0 111.046 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -84.56 -34.93 23.13 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 117.964 0.347 . . . . 0.0 111.351 176.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -74.36 -28.81 23.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 O-C-N 121.593 -0.692 . . . . 0.0 110.184 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -73.45 -34.21 65.28 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.47 -32.89 64.57 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 176.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -62.34 -40.61 96.93 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 118.395 0.543 . . . . 0.0 111.557 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -90.27 -7.08 54.34 Favored 'General case' 0 C--O 1.23 0.076 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.93 -7.51 18.13 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 175.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 tt -75.61 -18.88 59.57 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.446 0.698 . . . . 0.0 110.46 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.77 -8.47 56.13 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.481 0.313 . . . . 0.0 110.308 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.1 m -114.92 8.07 15.81 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.085 0.954 . . . . 0.0 111.168 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -68.4 130.54 43.2 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.1 mtm-85 -99.29 -16.11 18.6 Favored 'General case' 0 C--O 1.231 0.091 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -175.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.64 21.68 74.21 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -65.77 -10.37 36.72 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.995 0.518 . . . . 0.0 110.743 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.0 t -156.32 174.86 14.79 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.605 1.162 . . . . 0.0 108.528 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.97 154.54 18.68 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -62.87 -32.49 73.74 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.104 -0.373 . . . . 0.0 111.746 -175.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.666 ' CZ ' ' HE3' ' A' ' 32' ' ' LYS . 62.3 t80 -68.81 -28.99 67.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 122.104 -0.372 . . . . 0.0 110.903 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.2 m -67.45 -34.87 78.07 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -82.64 -31.79 28.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.442 0.697 . . . . 0.0 111.276 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -38.98 72.3 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -66.57 -39.61 88.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.9 tpp85 -69.22 -31.8 70.62 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 123.172 0.589 . . . . 0.0 111.475 -176.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.8 mt -76.53 -36.09 27.42 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.114 0 CA-C-N 117.983 0.356 . . . . 0.0 110.091 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.81 -39.64 83.96 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.123 0.42 . . . . 0.0 111.844 -175.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.3 p -73.98 -32.81 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 117.855 0.298 . . . . 0.0 110.452 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -83.04 -17.55 42.89 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 119.382 -0.342 . . . . 0.0 111.74 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.4 m -82.0 -38.87 24.42 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 118.819 0.736 . . . . 0.0 109.794 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.9 -28.31 62.4 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 122.359 -0.213 . . . . 0.0 110.844 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -83.01 -31.35 27.51 Favored 'General case' 0 C--O 1.231 0.09 0 O-C-N 122.197 -0.314 . . . . 0.0 110.867 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -74.53 -19.48 60.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -73.55 -33.48 64.72 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.102 -0.374 . . . . 0.0 110.769 175.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.5 mt -71.29 -26.85 63.04 Favored 'General case' 0 CA--C 1.528 0.121 0 O-C-N 122.063 -0.398 . . . . 0.0 111.595 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.227 -0.112 0 CA-C-N 118.189 0.45 . . . . 0.0 111.24 176.545 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.334 0.587 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.6 -16.88 58.74 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.884 0.474 . . . . 0.0 111.979 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -66.42 -45.41 80.0 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 121.747 -0.596 . . . . 0.0 110.737 -177.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 p -84.01 -25.54 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 CA-C-N 116.92 -0.127 . . . . 0.0 110.878 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.0 tp -78.55 -29.57 46.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.463 -0.148 . . . . 0.0 110.851 -178.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.2 t -75.0 -40.2 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 O-C-N 122.107 -0.37 . . . . 0.0 110.379 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.74 -21.52 61.01 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.788 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -71.89 -31.76 66.74 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 117.835 0.289 . . . . 0.0 110.327 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -73.61 -28.01 24.15 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.027 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 175.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -71.7 -15.36 62.2 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 121.986 -0.446 . . . . 0.0 110.834 176.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -85.64 3.77 39.38 Favored 'General case' 0 C--N 1.339 0.121 0 C-N-CA 122.926 0.49 . . . . 0.0 111.127 173.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.87 7.96 62.3 Favored Glycine 0 C--N 1.339 0.746 0 C-N-CA 123.538 0.59 . . . . 0.0 112.859 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -79.66 110.03 14.62 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.328 1.064 . . . . 0.0 109.927 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -80.12 -27.89 39.07 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 122.448 -0.157 . . . . 0.0 110.683 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.638 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -71.5 -31.2 66.82 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.44 -28.63 68.75 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.63 -30.71 61.74 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -65.14 -34.59 78.76 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 121.989 -0.445 . . . . 0.0 110.37 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.51 -26.03 57.75 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.26 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.5 tp -76.36 -31.03 57.84 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.2 t -68.2 -48.66 72.8 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.09 -23.89 29.44 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 CA-C-N 117.825 0.284 . . . . 0.0 110.619 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -69.66 -30.94 68.74 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.39 0.276 . . . . 0.0 111.025 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -114.48 -0.32 13.77 Favored 'General case' 0 C--O 1.227 -0.115 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -58.35 -39.71 80.24 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.608 0.64 . . . . 0.0 112.147 -173.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -83.1 -23.15 33.18 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 122.028 -0.42 . . . . 0.0 110.888 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -84.97 -32.62 22.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.46 0.171 . . . . 0.0 110.873 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.0 p -80.43 -28.33 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.77 -27.31 64.82 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.4 m -78.3 -21.44 49.69 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.886 0.474 . . . . 0.0 110.904 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -84.28 -44.46 13.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 119.35 -0.357 . . . . 0.0 111.781 177.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 m -79.01 -22.17 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-N 118.824 0.738 . . . . 0.0 111.697 -176.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.2 p -62.13 -15.44 45.75 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.043 0.383 . . . . 0.0 111.111 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -78.7 -9.42 59.41 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.471 0.708 . . . . 0.0 111.277 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.445 ' CE2' HG23 ' A' ' 79' ' ' VAL . 52.2 m-85 -126.94 -16.64 5.08 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -177.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.7 m -135.11 153.11 78.14 Favored Pre-proline 0 C--N 1.34 0.163 0 CA-C-N 118.295 0.498 . . . . 0.0 110.425 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -70.26 161.43 46.01 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.294 2.663 . . . . 0.0 109.698 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.6 m -59.28 -16.05 19.34 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.316 0.646 . . . . 0.0 112.695 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.55 -14.98 81.54 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.516 -0.602 . . . . 0.0 112.464 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -118.69 -6.48 10.63 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 117.865 0.833 . . . . 0.0 112.098 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.433 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 57.4 t -56.09 -51.02 83.97 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-O 118.283 -0.865 . . . . 0.0 112.162 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 65.3 Cg_endo -67.8 -21.81 44.01 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.586 1.524 . . . . 0.0 112.13 -174.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -85.76 -30.93 22.67 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.1 0.409 . . . . 0.0 110.674 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.4 t -81.76 -29.97 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.4 t -70.94 -38.24 71.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -72.79 -27.58 62.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.252 -177.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -78.31 -23.04 47.27 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 122.05 -0.406 . . . . 0.0 110.384 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.32 -28.08 42.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 119.478 -0.296 . . . . 0.0 111.488 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -84.37 -33.39 23.82 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 118.133 0.424 . . . . 0.0 110.979 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.45 -27.55 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 CA-C-N 118.762 0.71 . . . . 0.0 109.714 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -72.98 -34.98 66.79 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 173.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.54 -38.01 74.12 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -61.76 -38.85 89.54 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.029 0.377 . . . . 0.0 111.692 -177.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -87.9 -5.19 58.7 Favored 'General case' 0 C--N 1.339 0.12 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -177.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.62 -4.36 10.78 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 tt -74.17 -19.75 60.45 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.672 -0.642 . . . . 0.0 111.174 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -74.65 -5.41 42.92 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.16 -0.337 . . . . 0.0 110.814 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.2 m -114.66 6.19 15.61 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.159 0.984 . . . . 0.0 110.951 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -66.92 130.31 42.73 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -99.55 -17.15 18.0 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.67 22.65 69.1 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -66.44 -10.58 45.49 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.28 0.632 . . . . 0.0 110.648 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.0 t -156.38 172.79 17.89 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.298 1.039 . . . . 0.0 109.03 176.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.07 154.66 12.35 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.32 -33.06 74.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.824 -0.547 . . . . 0.0 112.041 -173.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -70.67 -22.59 62.46 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.816 0.735 . . . . 0.0 111.054 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.7 m -69.95 -35.03 74.18 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -82.46 -27.85 31.63 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.96 0.504 . . . . 0.0 110.93 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.14 -42.55 55.92 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.43 -40.06 89.68 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -65.07 -38.15 89.86 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.929 0.892 . . . . 0.0 110.995 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.4 mt -78.81 -35.81 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.84 -36.45 72.88 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 117.897 0.317 . . . . 0.0 111.714 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.445 HG23 ' CE2' ' A' ' 40' ' ' TYR . 10.4 p -77.42 -27.74 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 CA-C-N 118.129 0.422 . . . . 0.0 110.527 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -80.77 -28.8 36.28 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.4 m -76.17 -39.31 55.2 Favored 'General case' 0 N--CA 1.457 -0.086 0 O-C-N 121.957 -0.465 . . . . 0.0 110.32 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.55 -30.15 64.18 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 117.814 0.279 . . . . 0.0 110.964 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -82.46 -29.9 30.32 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.388 -0.195 . . . . 0.0 110.634 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -72.96 -22.82 60.64 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -71.99 -34.04 68.59 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.992 -0.443 . . . . 0.0 110.437 177.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.96 -27.92 66.16 Favored 'General case' 0 CA--C 1.527 0.094 0 O-C-N 122.22 -0.3 . . . . 0.0 111.495 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.462 0.138 0 CA-C-N 117.93 0.332 . . . . 0.0 111.53 177.74 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.6 p . . . . . 0 C--O 1.231 0.1 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.92 -16.95 62.67 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.192 -0.318 . . . . 0.0 111.04 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -75.95 -45.34 35.47 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 122.071 -0.393 . . . . 0.0 110.62 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.8 p -84.37 -26.16 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-N 118.007 0.367 . . . . 0.0 110.836 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.0 tp -73.02 -27.99 62.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.1 t -76.7 -36.48 27.09 Favored 'Isoleucine or valine' 0 C--N 1.338 0.092 0 CA-C-O 119.373 -0.346 . . . . 0.0 110.222 175.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -66.17 -30.13 70.54 Favored 'General case' 0 C--N 1.338 0.096 0 CA-C-N 118.659 0.663 . . . . 0.0 110.125 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -72.34 -31.28 65.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.09 0.156 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.72 -29.18 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 118.041 0.382 . . . . 0.0 110.025 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -72.15 -15.3 61.97 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 117.9 0.318 . . . . 0.0 110.931 176.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -83.91 3.84 32.19 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.823 0.449 . . . . 0.0 111.232 172.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.36 9.02 65.57 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.593 -0.559 . . . . 0.0 112.973 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -78.93 111.98 15.65 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 118.035 0.917 . . . . 0.0 109.889 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -80.22 -28.22 38.63 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.621 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.7 mmpt? -71.72 -28.51 63.73 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 -27.92 65.59 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.37 -33.41 37.23 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.449 -0.157 . . . . 0.0 110.884 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -64.73 -34.32 78.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mp -75.33 -28.41 59.61 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.763 0.425 . . . . 0.0 110.017 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 tp -72.45 -30.22 64.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.84 0.456 . . . . 0.0 110.091 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.0 -46.41 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.25 -23.66 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 117.607 0.185 . . . . 0.0 110.512 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -73.37 -36.32 66.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.781 0.432 . . . . 0.0 111.775 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -114.81 0.21 13.73 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -175.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -60.66 -29.42 69.28 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 119.229 0.922 . . . . 0.0 113.28 -174.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -86.04 -26.69 25.23 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.59 0.632 . . . . 0.0 110.408 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.728 ' HE2' ' CZ ' ' A' ' 71' ' ' TYR . 2.2 tmtm? -73.8 -43.91 57.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.768 0.827 . . . . 0.0 110.813 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.1 -31.62 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.982 -177.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.61 -28.43 67.73 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 117.992 0.36 . . . . 0.0 110.358 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.3 m -79.86 -22.19 43.21 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 122.641 0.376 . . . . 0.0 110.867 178.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 tp -83.9 -40.42 18.61 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.49 0.316 . . . . 0.0 111.581 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 m -80.86 -22.29 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 118.526 0.603 . . . . 0.0 111.16 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.2 m -60.88 -15.71 33.65 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 118.161 0.437 . . . . 0.0 111.127 175.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -79.76 -10.53 59.8 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.338 0.655 . . . . 0.0 111.306 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -126.72 -18.28 4.79 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.2 m -133.1 153.69 80.95 Favored Pre-proline 0 CA--C 1.528 0.114 0 CA-C-N 118.476 0.58 . . . . 0.0 110.621 177.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -70.41 160.96 47.75 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.586 2.857 . . . . 0.0 109.776 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.3 p -58.99 -17.98 29.94 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -174.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.19 -14.85 81.9 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-O 119.321 -0.71 . . . . 0.0 112.54 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -118.73 -7.52 10.5 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.23 1.015 . . . . 0.0 112.29 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.44 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 79.6 t -55.72 -51.49 79.83 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-O 118.305 -0.855 . . . . 0.0 111.926 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.0 Cg_endo -66.14 -24.57 51.59 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 121.386 1.391 . . . . 0.0 112.242 -174.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -85.27 -31.2 23.23 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.979 -0.45 . . . . 0.0 110.997 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.1 t -78.67 -29.18 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.5 t -71.44 -33.69 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -72.85 -27.98 62.26 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 119.737 -0.173 . . . . 0.0 111.021 -176.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -82.06 -26.82 33.36 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.389 0.54 . . . . 0.0 110.145 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.96 -34.63 76.94 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.988 -0.445 . . . . 0.0 111.129 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -84.58 -35.13 22.99 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.991 -0.443 . . . . 0.0 111.393 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.13 -30.08 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 118.62 0.646 . . . . 0.0 110.121 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HA ' ' HE ' ' A' ' 59' ' ' ARG . 56.4 tptt -73.17 -33.4 65.42 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.27 -32.13 64.48 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 119.618 -0.23 . . . . 0.0 110.487 176.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -64.98 -38.13 89.95 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.37 0.532 . . . . 0.0 111.404 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.405 ' HE ' ' HA ' ' A' ' 56' ' ' LYS . 25.3 ptt180 -91.93 -5.5 53.05 Favored 'General case' 0 C--N 1.338 0.105 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.34 -7.97 15.15 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.1 tt -74.76 -20.02 59.98 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.118 0.567 . . . . 0.0 110.872 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.45 -8.0 54.07 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.0 m -114.58 9.87 16.68 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.241 1.017 . . . . 0.0 110.839 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -67.37 131.89 46.61 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.0 mtm-85 -99.4 -16.83 18.26 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -174.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.21 19.5 79.64 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.713 -0.555 . . . . 0.0 111.713 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -66.17 -11.62 50.67 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.316 0.646 . . . . 0.0 110.809 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.1 t -155.93 173.72 16.37 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.492 1.117 . . . . 0.0 108.946 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.72 154.61 21.14 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.64 -34.33 76.84 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 122.077 -0.389 . . . . 0.0 111.641 -175.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.728 ' CZ ' ' HE2' ' A' ' 32' ' ' LYS . 56.9 t80 -68.03 -31.38 71.02 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 117.594 0.179 . . . . 0.0 110.996 -177.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.1 m -65.99 -34.7 78.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -82.03 -33.45 29.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.379 0.672 . . . . 0.0 110.748 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.92 -36.24 79.83 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -65.09 -42.99 93.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.613 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -65.67 -36.44 83.65 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.031 0.378 . . . . 0.0 111.896 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.8 mt -71.68 -34.76 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.134 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.87 -40.38 69.0 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 118.052 0.387 . . . . 0.0 111.946 -175.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.78 -31.23 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.052 0 CA-C-N 118.161 0.437 . . . . 0.0 110.156 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -83.01 -22.94 33.48 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.25 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.4 m -74.06 -39.58 63.4 Favored 'General case' 0 N--CA 1.458 -0.062 0 CA-C-N 118.795 0.725 . . . . 0.0 109.353 175.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.04 -29.49 60.79 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 122.055 0.142 . . . . 0.0 111.079 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -82.34 -31.71 29.69 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 122.012 -0.43 . . . . 0.0 110.789 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -73.85 -21.27 60.17 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 175.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -72.1 -31.38 66.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 119.712 -0.185 . . . . 0.0 110.96 176.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.24 -34.33 65.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 118.314 0.507 . . . . 0.0 111.735 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.461 0.103 0 CA-C-N 118.088 0.404 . . . . 0.0 110.839 177.51 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.4 p . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -62.45 -17.27 59.05 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 122.124 -0.36 . . . . 0.0 111.682 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -75.55 -47.12 28.2 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.033 -0.417 . . . . 0.0 110.763 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.11 -28.17 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-N 117.636 0.198 . . . . 0.0 110.82 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp -70.32 -27.9 64.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.7 t -78.22 -36.83 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 O-C-N 122.321 -0.237 . . . . 0.0 110.461 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -67.05 -27.47 67.42 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 118.555 0.616 . . . . 0.0 110.147 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.5 ttm-85 -74.22 -31.9 62.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.04 0.536 . . . . 0.0 110.724 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.9 t -76.2 -29.02 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 175.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -70.9 -15.29 62.6 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.988 -0.445 . . . . 0.0 110.293 174.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -82.43 -0.66 47.2 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.221 0.608 . . . . 0.0 110.8 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.17 6.64 62.93 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 119.605 -0.553 . . . . 0.0 112.735 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -78.23 109.85 12.72 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.067 0.933 . . . . 0.0 109.701 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -80.34 -28.38 38.12 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.483 -0.136 . . . . 0.0 110.738 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.623 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -71.28 -30.79 66.71 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.11 68.77 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -74.19 -30.47 62.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.213 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -64.94 -36.43 84.36 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 122.07 -0.394 . . . . 0.0 110.379 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.3 -26.79 62.09 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.5 tp -75.75 -29.44 58.85 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.671 0.388 . . . . 0.0 110.057 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -72.51 -45.66 58.29 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.44 -23.63 33.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -75.82 -33.25 60.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 122.864 0.465 . . . . 0.0 111.976 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -114.76 -2.3 13.02 Favored 'General case' 0 C--N 1.337 0.056 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -60.27 -29.61 68.91 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.409 1.004 . . . . 0.0 112.703 -173.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -85.53 -28.51 24.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.521 0.6 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -80.46 -36.05 34.05 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.371 0.268 . . . . 0.0 110.68 -177.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.8 p -78.11 -29.95 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.61 -27.47 66.06 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.4 m -78.58 -22.24 47.43 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.185 0.194 . . . . 0.0 110.529 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.3 tp -84.16 -45.29 13.12 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.573 0.349 . . . . 0.0 111.587 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.3 m -76.39 -20.88 15.11 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.846 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.6 t -61.28 -16.03 41.35 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.094 -0.378 . . . . 0.0 110.76 176.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -79.41 -9.07 59.52 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.937 0.495 . . . . 0.0 111.607 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -126.93 -13.3 5.79 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -177.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -138.05 154.88 74.58 Favored Pre-proline 0 CA--C 1.529 0.142 0 CA-C-N 118.663 0.665 . . . . 0.0 111.251 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -58.88 156.43 33.27 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.654 2.902 . . . . 0.0 111.025 173.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.0 p -62.43 -17.68 59.93 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.15 -12.7 84.09 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.521 -0.6 . . . . 0.0 112.155 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -118.38 -4.27 10.9 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.077 0.939 . . . . 0.0 112.134 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.451 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 48.8 t -58.39 -50.16 89.59 Favored Pre-proline 0 C--N 1.34 0.183 0 CA-C-O 118.255 -0.879 . . . . 0.0 112.074 178.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 59.0 Cg_endo -66.37 -22.47 52.55 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.316 1.344 . . . . 0.0 112.032 -174.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -84.23 -32.03 24.7 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 118.112 0.415 . . . . 0.0 110.791 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.8 t -80.95 -27.96 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.2 t -72.52 -35.89 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -72.83 -21.7 60.92 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 117.754 0.252 . . . . 0.0 110.436 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -83.78 -20.74 32.77 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 121.702 -0.624 . . . . 0.0 110.206 175.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.95 -34.02 26.6 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 119.552 -0.261 . . . . 0.0 111.513 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -81.56 -31.99 32.41 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.098 0.408 . . . . 0.0 110.959 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.53 -30.17 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -73.32 -31.72 64.16 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.5 -31.76 60.3 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 119.481 -0.295 . . . . 0.0 110.679 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -63.77 -39.8 95.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.486 0.585 . . . . 0.0 111.409 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -92.09 -5.48 52.71 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.17 -4.52 16.48 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.0 tt -79.01 -17.39 55.44 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 122.898 0.479 . . . . 0.0 111.051 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -70.52 -11.36 60.87 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.072 -0.393 . . . . 0.0 111.232 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.5 p -114.99 8.43 15.81 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.459 0.703 . . . . 0.0 111.274 177.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -67.27 130.24 42.46 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.2 mtm-85 -99.41 -16.03 18.54 Favored 'General case' 0 CA--C 1.527 0.061 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -174.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.58 23.49 62.4 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.82 -9.4 44.15 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.104 0.562 . . . . 0.0 111.211 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.1 t -157.21 172.91 17.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.09 0.956 . . . . 0.0 109.068 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.87 151.86 20.67 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 175.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.85 -33.5 75.4 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -172.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -75.17 -19.25 59.94 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 119.771 -0.772 . . . . 0.0 111.474 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.7 m -70.04 -33.89 72.56 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -82.1 -32.17 30.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.375 0.67 . . . . 0.0 110.294 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.04 -36.9 69.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -63.41 -40.94 98.56 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.619 0.368 . . . . 0.0 110.176 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -67.13 -36.59 82.21 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.2 mt -74.31 -35.33 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.62 -40.39 80.38 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.054 0.388 . . . . 0.0 111.876 -175.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.93 -35.32 42.05 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-N 118.293 0.497 . . . . 0.0 110.296 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -78.67 -16.71 56.97 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 119.469 -0.3 . . . . 0.0 110.992 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 51.0 m -83.44 -38.24 22.14 Favored 'General case' 0 C--O 1.228 -0.043 0 CA-C-N 118.514 0.597 . . . . 0.0 109.794 174.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.54 -30.85 63.33 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -79.28 -26.61 42.31 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 122.145 -0.347 . . . . 0.0 110.957 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -74.33 -21.89 59.5 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -76.12 -26.69 56.61 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.976 -0.453 . . . . 0.0 110.627 176.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.64 -19.7 48.5 Favored 'General case' 0 CA--C 1.527 0.094 0 O-C-N 121.792 -0.567 . . . . 0.0 112.155 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 C--O 1.228 -0.042 0 CA-C-N 117.909 0.322 . . . . 0.0 111.098 177.376 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.6 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.016 0.436 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -65.03 -15.09 61.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.246 -0.284 . . . . 0.0 111.746 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -75.71 -44.88 39.81 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.789 -0.569 . . . . 0.0 110.74 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.8 p -82.46 -25.52 8.8 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.052 0 C-N-CA 122.235 0.214 . . . . 0.0 110.569 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.4 tp -77.75 -29.07 50.85 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 122.289 -0.257 . . . . 0.0 110.848 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.45 -39.57 27.79 Favored 'Isoleucine or valine' 0 C--N 1.339 0.128 0 O-C-N 122.148 -0.345 . . . . 0.0 110.51 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.19 -22.59 61.25 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 118.882 0.765 . . . . 0.0 110.466 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -72.51 -31.56 65.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 122.298 -0.251 . . . . 0.0 110.605 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.6 t -73.51 -29.38 27.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -71.66 -15.3 62.22 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.946 -0.472 . . . . 0.0 110.901 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -88.03 6.96 33.57 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.451 0.7 . . . . 0.0 111.163 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.17 7.52 63.86 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 119.574 -0.57 . . . . 0.0 113.193 174.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -81.9 107.27 14.48 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.288 1.044 . . . . 0.0 110.154 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -80.39 -25.56 39.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 122.502 -0.124 . . . . 0.0 110.857 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.632 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -71.88 -32.4 67.41 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.009 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.18 -29.02 69.8 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 176.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -75.71 -31.39 59.64 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.371 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -65.07 -33.36 75.84 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.052 -0.405 . . . . 0.0 110.658 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.2 -27.13 56.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.5 tp -75.25 -30.72 60.59 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.475 0.31 . . . . 0.0 110.288 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.09 -49.46 67.59 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.8 t -67.77 -23.78 29.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -69.69 -31.11 68.96 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.61 0.364 . . . . 0.0 111.375 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -114.73 -0.24 13.63 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -58.45 -38.44 77.53 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.651 0.659 . . . . 0.0 112.2 -173.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -82.75 -23.89 33.76 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 117.966 0.348 . . . . 0.0 111.042 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HE2' ' CZ ' ' A' ' 71' ' ' TYR . 80.5 tttt -85.18 -34.01 22.17 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.342 0.257 . . . . 0.0 110.798 -176.098 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -79.69 -28.52 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.51 64.52 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.9 t -76.33 -26.24 55.56 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.1 tp -82.8 -44.33 15.65 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.891 0.477 . . . . 0.0 112.025 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -79.01 -18.76 13.03 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 118.959 0.799 . . . . 0.0 111.176 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -61.97 -16.07 48.45 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.179 -0.325 . . . . 0.0 110.391 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -78.14 -11.86 59.95 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.352 0.661 . . . . 0.0 111.532 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -127.05 -13.42 5.7 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -175.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.3 m -138.13 154.67 74.27 Favored Pre-proline 0 N--CA 1.462 0.143 0 CA-C-N 118.826 0.739 . . . . 0.0 111.551 176.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.53 156.61 35.68 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.633 2.889 . . . . 0.0 111.018 173.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -61.15 -20.31 62.55 Favored 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 122.172 0.189 . . . . 0.0 111.423 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.65 -13.0 83.95 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-O 119.311 -0.716 . . . . 0.0 112.079 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -117.49 -5.23 11.23 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.292 1.046 . . . . 0.0 111.783 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.44 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 45.8 t -57.53 -51.02 84.81 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 118.426 -0.797 . . . . 0.0 112.193 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.1 Cg_endo -66.8 -23.69 47.78 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.481 1.454 . . . . 0.0 112.31 -173.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -87.17 -26.0 23.78 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 118.277 0.489 . . . . 0.0 111.122 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.5 t -84.13 -27.53 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.5 t -73.76 -39.76 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -72.55 -32.16 65.85 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.112 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.61 -25.46 63.05 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.4 -28.9 52.85 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.136 -0.353 . . . . 0.0 111.113 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -84.62 -34.75 23.05 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.144 0.429 . . . . 0.0 111.239 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.34 -29.85 40.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 CA-C-N 118.829 0.74 . . . . 0.0 109.52 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -75.13 -31.4 61.08 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 176.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.93 -31.15 61.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.59 -38.66 91.78 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.156 0.434 . . . . 0.0 111.383 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -88.03 -10.25 50.87 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.03 -9.58 15.07 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.2 tt -72.49 -19.41 61.55 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.88 0.472 . . . . 0.0 110.483 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.24 -9.11 58.36 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.711 0.291 . . . . 0.0 110.399 174.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -114.65 7.47 16.0 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.99 0.916 . . . . 0.0 111.087 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -68.0 130.83 44.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -99.22 -14.57 19.24 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -174.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.13 20.93 78.91 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -69.8 -7.72 42.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.057 0.543 . . . . 0.0 111.43 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.8 t -157.9 172.45 18.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.097 0.959 . . . . 0.0 109.377 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.35 154.47 13.53 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.006 0.523 . . . . 0.0 109.819 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.31 -31.65 72.9 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.405 ' CZ ' ' HE2' ' A' ' 32' ' ' LYS . 73.5 t80 -73.62 -25.81 60.49 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.628 0.649 . . . . 0.0 111.005 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.6 m -67.16 -34.34 77.34 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -81.65 -32.97 31.63 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.607 0.363 . . . . 0.0 110.459 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.1 -34.19 70.88 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -65.84 -40.39 91.72 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.22 -35.06 78.79 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 117.819 0.281 . . . . 0.0 110.674 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -73.56 -36.51 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.83 -41.26 75.21 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.12 0.418 . . . . 0.0 111.938 -174.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.8 p -74.29 -31.91 30.05 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-N 118.124 0.42 . . . . 0.0 110.489 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -82.86 -16.77 46.31 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 119.418 -0.325 . . . . 0.0 111.329 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.3 m -84.29 -37.81 21.21 Favored 'General case' 0 CA--C 1.527 0.065 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 173.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.41 -29.2 59.69 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -84.52 -34.29 23.33 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 117.98 0.355 . . . . 0.0 110.96 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -73.38 -18.49 61.16 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -70.07 -44.48 69.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.719 -0.613 . . . . 0.0 109.887 172.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.2 -23.89 66.9 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.456 -0.148 0 O-C-N 122.196 -0.315 . . . . 0.0 111.125 -178.91 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.2 p . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.927 0.394 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -63.09 -14.83 53.17 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 121.804 -0.56 . . . . 0.0 111.307 -178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -67.31 -41.57 85.12 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 117.961 0.346 . . . . 0.0 110.446 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -83.88 -24.67 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 CA-C-N 118.081 0.401 . . . . 0.0 110.295 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.75 -29.0 58.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.3 t -75.26 -35.13 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -71.35 -28.6 64.17 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-N 118.105 0.411 . . . . 0.0 110.53 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -72.84 -29.11 62.96 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.246 0.219 . . . . 0.0 110.867 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.3 t -77.07 -28.0 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 O-C-N 122.095 -0.378 . . . . 0.0 110.141 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -72.07 -15.81 62.02 Favored 'General case' 0 CA--C 1.529 0.163 0 O-C-N 122.082 -0.386 . . . . 0.0 110.394 175.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -83.48 4.5 27.59 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.791 0.436 . . . . 0.0 111.115 172.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.1 9.57 67.38 Favored Glycine 0 CA--C 1.528 0.874 0 CA-C-O 119.589 -0.562 . . . . 0.0 113.075 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -78.07 114.45 16.96 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.301 1.051 . . . . 0.0 110.331 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.2 tp60 -80.13 -28.66 38.88 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.614 0.366 . . . . 0.0 111.031 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.8 mmpt? -75.72 -30.67 59.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.6 -30.14 70.82 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -76.23 -30.89 58.1 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.119 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -62.94 -35.59 80.63 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.817 0.28 . . . . 0.0 110.638 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.52 -30.46 64.5 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.8 tp -71.59 -30.37 65.75 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.02 -42.76 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.48 -23.87 34.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 CA-C-N 117.932 0.333 . . . . 0.0 110.97 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.99 -31.46 58.97 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 122.039 -0.413 . . . . 0.0 111.884 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -117.46 -0.02 12.04 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -175.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -59.94 -31.1 69.54 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 119.348 0.976 . . . . 0.0 113.24 -174.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -85.33 -27.56 25.82 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.31 0.505 . . . . 0.0 110.403 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.658 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 9.1 tmtt? -71.7 -46.01 60.09 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.373 0.669 . . . . 0.0 110.569 178.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.8 p -73.17 -31.39 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.186 -176.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.98 -29.43 68.46 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 122.074 -0.391 . . . . 0.0 110.819 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.6 m -80.12 -22.06 42.54 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.21 0.204 . . . . 0.0 110.696 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -84.11 -40.86 17.75 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 122.608 0.363 . . . . 0.0 111.572 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 m -80.87 -21.2 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.077 0 CA-C-N 118.568 0.622 . . . . 0.0 111.173 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.1 t -61.06 -15.87 37.32 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.682 0.277 . . . . 0.0 110.63 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -79.23 -11.48 59.96 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.335 0.654 . . . . 0.0 111.506 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -127.08 -15.43 5.29 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -175.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.8 m -136.42 154.36 76.89 Favored Pre-proline 0 N--CA 1.463 0.216 0 CA-C-N 118.346 0.521 . . . . 0.0 110.584 176.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -70.08 162.02 43.79 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.427 2.751 . . . . 0.0 110.097 176.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.0 p -60.34 -18.2 48.31 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.91 -15.09 81.59 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.485 -0.619 . . . . 0.0 112.436 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -118.56 -5.84 10.72 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 117.981 0.891 . . . . 0.0 112.149 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.43 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 54.8 t -56.59 -50.92 85.07 Favored Pre-proline 0 C--O 1.226 -0.176 0 CA-C-O 118.343 -0.837 . . . . 0.0 112.186 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 66.0 Cg_endo -68.14 -22.93 40.21 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 121.444 1.429 . . . . 0.0 112.379 -174.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -87.0 -25.83 24.06 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 118.11 0.414 . . . . 0.0 111.038 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.9 t -84.53 -27.02 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.4 t -73.93 -39.74 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.45 -31.86 65.79 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.645 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -72.23 -24.71 61.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 122.224 -0.297 . . . . 0.0 110.391 176.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.01 -32.77 61.7 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 122.273 -0.267 . . . . 0.0 110.746 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -84.59 -35.86 22.47 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 117.772 0.26 . . . . 0.0 111.235 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -69.72 -29.52 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 118.937 0.789 . . . . 0.0 109.765 177.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -74.66 -31.63 61.99 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.272 0.487 . . . . 0.0 109.993 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.02 -33.11 63.65 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -63.3 -37.87 88.96 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.068 0.394 . . . . 0.0 111.403 -177.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -87.7 -12.01 46.6 Favored 'General case' 0 CA--C 1.527 0.059 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.14 -7.53 16.02 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 tt -75.13 -21.7 58.67 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.604 0.762 . . . . 0.0 110.385 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.55 -8.85 57.63 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 174.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.0 m -114.71 12.36 17.08 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.989 0.915 . . . . 0.0 110.956 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -66.66 132.25 47.73 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 mtt85 -99.53 -18.68 17.27 Favored 'General case' 0 C--N 1.337 0.054 0 C-N-CA 123.035 0.534 . . . . 0.0 112.118 -174.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.89 20.15 79.59 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.709 -0.556 . . . . 0.0 111.709 178.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.56 -10.26 54.64 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 117.272 0.536 . . . . 0.0 111.17 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.1 t -154.91 172.47 17.99 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.37 1.068 . . . . 0.0 108.754 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.52 152.85 17.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 176.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.24 -31.42 72.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -174.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.658 ' CZ ' ' HE3' ' A' ' 32' ' ' LYS . 69.6 t80 -71.16 -28.56 64.34 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 118.091 0.405 . . . . 0.0 110.991 -178.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.9 m -66.96 -34.36 77.6 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -82.41 -31.8 29.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.661 0.784 . . . . 0.0 111.025 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -38.35 72.43 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -67.32 -39.33 85.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -65.78 -35.42 80.65 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.512 0.725 . . . . 0.0 111.39 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.4 mt -75.98 -34.5 27.33 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.114 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.54 -40.78 85.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 118.046 0.384 . . . . 0.0 111.938 -175.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.8 p -74.02 -31.95 31.73 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.043 0 CA-C-N 117.889 0.313 . . . . 0.0 110.502 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -82.89 -17.88 42.22 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.46 -0.305 . . . . 0.0 111.722 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.4 m -82.31 -39.24 23.15 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 118.542 0.61 . . . . 0.0 109.895 176.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.58 -27.41 62.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 122.249 -0.282 . . . . 0.0 110.873 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -84.12 -31.14 25.4 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 122.288 -0.257 . . . . 0.0 110.677 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -72.81 -22.03 60.88 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -73.92 -32.41 63.52 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.057 -0.402 . . . . 0.0 110.713 175.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.37 -23.37 64.66 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.013 -0.429 . . . . 0.0 111.505 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 C--O 1.227 -0.109 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 178.796 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.3 p . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.01 -14.86 57.32 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 122.493 0.317 . . . . 0.0 111.3 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -71.53 -45.46 62.31 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.975 -0.453 . . . . 0.0 110.623 -177.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.8 -26.08 7.52 Favored 'Isoleucine or valine' 0 C--N 1.339 0.111 0 CA-C-N 117.935 0.334 . . . . 0.0 110.729 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 tp -71.85 -27.16 62.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.6 t -78.24 -36.95 21.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 O-C-N 122.09 -0.381 . . . . 0.0 110.152 175.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -67.8 -29.98 69.29 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.505 0.593 . . . . 0.0 110.197 176.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.4 ttm-85 -71.54 -32.31 68.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.112 0.165 . . . . 0.0 110.735 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.5 t -73.88 -28.05 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-N 117.987 0.358 . . . . 0.0 110.206 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -72.65 -15.47 61.71 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.019 0.372 . . . . 0.0 110.698 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -86.03 5.46 33.37 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.804 0.442 . . . . 0.0 111.248 173.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.08 8.29 69.1 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-O 119.618 -0.546 . . . . 0.0 112.868 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -77.54 103.77 7.67 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 117.948 0.874 . . . . 0.0 109.632 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -79.83 -25.74 40.69 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.513 0.197 . . . . 0.0 110.641 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.635 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.1 mmpt? -72.16 -30.8 65.36 Favored 'General case' 0 CA--C 1.52 -0.184 0 O-C-N 121.92 -0.487 . . . . 0.0 109.73 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.79 -29.0 67.27 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -73.21 -30.87 63.81 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -64.66 -36.37 84.03 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.869 -0.519 . . . . 0.0 110.214 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.59 -26.74 62.73 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 176.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.4 tp -77.31 -28.86 53.39 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.6 t -73.53 -44.57 53.48 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.89 -23.56 33.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -73.84 -35.35 64.79 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -114.78 0.11 13.71 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 -176.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -60.08 -30.33 69.16 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.384 0.993 . . . . 0.0 112.918 -174.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -84.27 -28.11 27.41 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 118.375 0.534 . . . . 0.0 110.687 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.67 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 8.6 tmtt? -72.33 -45.94 57.72 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.446 0.699 . . . . 0.0 110.608 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.4 p -73.27 -31.57 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.255 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.03 -27.29 66.41 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 117.982 0.355 . . . . 0.0 110.343 178.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.4 m -81.49 -20.98 39.0 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.932 0.493 . . . . 0.0 110.875 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -85.74 -41.7 14.88 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 119.342 -0.361 . . . . 0.0 111.29 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.8 m -80.82 -23.23 10.96 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 CA-C-N 118.529 0.604 . . . . 0.0 111.309 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 98.0 p -62.87 -15.7 55.81 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.129 0.422 . . . . 0.0 111.074 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -77.17 -10.3 59.32 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.082 0.553 . . . . 0.0 111.296 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.439 ' CE2' HG23 ' A' ' 79' ' ' VAL . 40.9 m-85 -126.61 -19.51 4.55 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.41 153.3 81.57 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-N 118.454 0.57 . . . . 0.0 110.517 176.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.49 161.14 47.07 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.447 2.765 . . . . 0.0 109.843 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.4 p -60.16 -18.1 45.42 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.51 -15.2 81.37 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 119.289 -0.728 . . . . 0.0 112.319 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -118.65 -5.84 10.68 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 118.22 1.01 . . . . 0.0 112.445 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.434 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.3 t -57.52 -49.91 91.13 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-O 118.385 -0.817 . . . . 0.0 112.313 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 65.9 Cg_endo -67.88 -22.11 43.03 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 121.458 1.439 . . . . 0.0 112.015 -174.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -85.42 -31.29 22.95 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.18 0.445 . . . . 0.0 110.864 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.9 t -81.24 -28.95 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.8 t -72.4 -38.48 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -73.27 -26.8 61.24 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.44 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -80.4 -23.73 40.19 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 122.077 -0.389 . . . . 0.0 110.429 176.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.65 -33.59 62.55 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 122.24 -0.288 . . . . 0.0 111.418 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -83.12 -34.57 26.05 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 118.318 0.508 . . . . 0.0 111.068 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.19 -28.95 30.57 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 118.585 0.629 . . . . 0.0 109.792 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -74.4 -31.5 62.36 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.174 0.443 . . . . 0.0 110.03 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.28 -32.91 63.1 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -63.76 -36.77 84.95 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 117.925 0.33 . . . . 0.0 111.566 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -90.42 -9.32 47.96 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.22 -7.96 15.19 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 tt -73.7 -19.85 60.7 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 123.071 0.548 . . . . 0.0 110.683 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.68 -8.62 56.25 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.341 0.256 . . . . 0.0 110.324 174.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.4 m -114.6 9.23 16.52 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.872 0.869 . . . . 0.0 111.127 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -67.97 129.74 40.82 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -99.47 -14.76 18.95 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -174.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.22 21.08 76.49 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -67.8 -10.27 51.38 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.245 0.618 . . . . 0.0 110.999 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.5 t -156.91 172.86 17.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.437 1.095 . . . . 0.0 108.886 178.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.48 152.77 20.95 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -64.5 -31.76 73.11 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 121.951 -0.468 . . . . 0.0 111.962 -174.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.67 ' CZ ' ' HE3' ' A' ' 32' ' ' LYS . 63.1 t80 -70.1 -29.67 66.69 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.3 0.5 . . . . 0.0 110.732 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.6 m -65.76 -34.74 78.88 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -82.12 -32.33 30.21 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.003 0.521 . . . . 0.0 110.791 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.24 -34.16 72.52 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.68 -40.92 88.78 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 122.544 0.337 . . . . 0.0 110.17 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -64.79 -38.54 91.31 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 122.301 0.24 . . . . 0.0 111.425 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 48.5 mt -70.66 -36.93 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 118.081 0.4 . . . . 0.0 110.287 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.15 -38.81 69.11 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -175.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.439 HG23 ' CE2' ' A' ' 40' ' ' TYR . 14.7 p -77.37 -26.35 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.052 0 CA-C-N 118.302 0.501 . . . . 0.0 110.736 -179.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -82.89 -29.23 29.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.0 m -71.44 -39.88 70.72 Favored 'General case' 0 C--N 1.34 0.178 0 O-C-N 121.757 -0.589 . . . . 0.0 110.216 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.06 -28.11 61.24 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.302 -0.249 . . . . 0.0 111.548 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -83.91 -31.46 25.64 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 122.06 -0.4 . . . . 0.0 110.754 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -71.57 -22.84 61.69 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 175.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -73.83 -28.55 61.67 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.05 -0.406 . . . . 0.0 110.603 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.5 mt -75.63 -22.06 57.16 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 121.64 -0.663 . . . . 0.0 112.424 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 CA--C 1.528 0.112 0 CA-C-N 118.394 0.543 . . . . 0.0 111.28 176.698 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.3 mtm . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 120.035 -0.031 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -149.56 162.91 39.23 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 122.844 0.458 . . . . 0.0 110.446 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -152.7 154.68 35.77 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.833 0.453 . . . . 0.0 110.003 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -131.86 154.59 49.02 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.756 0.823 . . . . 0.0 109.584 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.0 mp -87.85 56.03 3.72 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.051 0.453 . . . . 0.0 111.035 -175.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.9 p -70.56 172.44 8.54 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.34 -15.97 51.47 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.741 -0.599 . . . . 0.0 110.672 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -72.19 -37.78 69.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.971 -0.456 . . . . 0.0 110.886 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 m -83.43 -26.55 7.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 CA-C-N 118.187 0.449 . . . . 0.0 110.001 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.9 tp -80.38 -31.2 37.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.166 -175.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.9 t -75.87 -36.03 31.56 Favored 'Isoleucine or valine' 0 C--N 1.338 0.077 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -72.55 -26.47 61.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 122.138 -0.351 . . . . 0.0 110.283 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -73.7 -30.1 62.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.157 -0.339 . . . . 0.0 110.71 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -75.44 -28.39 20.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 CA-C-N 117.96 0.346 . . . . 0.0 110.421 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -72.35 -15.95 61.87 Favored 'General case' 0 CA--C 1.527 0.084 0 O-C-N 121.822 -0.549 . . . . 0.0 110.858 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -83.98 6.06 23.34 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.61 0.364 . . . . 0.0 111.38 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.57 7.64 64.77 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.65 -0.528 . . . . 0.0 113.289 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -80.19 111.25 16.38 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 118.308 1.054 . . . . 0.0 110.091 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -80.2 -29.46 38.6 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 122.301 -0.249 . . . . 0.0 110.953 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.635 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.5 mmpt? -69.97 -30.44 67.8 Favored 'General case' 0 N--CA 1.457 -0.111 0 O-C-N 122.065 -0.397 . . . . 0.0 109.953 -178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.54 -29.92 70.11 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 176.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -74.38 -29.97 61.77 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.229 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -64.77 -35.78 82.17 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 122.097 -0.377 . . . . 0.0 110.641 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.86 -24.93 58.65 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.1 tp -75.28 -29.81 60.22 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -70.75 -45.05 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.83 -23.69 33.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 O-C-N 122.353 -0.217 . . . . 0.0 110.512 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -73.76 -35.89 65.06 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.847 0.459 . . . . 0.0 111.534 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -114.65 -2.61 13.03 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -175.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -58.95 -30.9 68.24 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 119.518 1.053 . . . . 0.0 112.849 -173.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -85.17 -29.03 25.09 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-N 118.089 0.404 . . . . 0.0 110.701 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -80.81 -33.62 34.63 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.987 0.515 . . . . 0.0 110.8 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.5 p -79.28 -28.84 13.48 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.13 -26.93 66.04 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.297 -0.252 . . . . 0.0 110.691 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.7 m -79.01 -21.99 46.14 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 122.899 0.48 . . . . 0.0 110.943 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -83.78 -44.25 14.58 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.3 m -78.78 -22.24 12.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-N 118.812 0.733 . . . . 0.0 111.654 -176.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 94.0 p -62.03 -14.9 40.21 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.086 0.403 . . . . 0.0 110.779 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -79.35 -9.39 59.58 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.258 0.623 . . . . 0.0 111.29 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -126.91 -14.7 5.54 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -177.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.7 m -136.31 153.34 76.35 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-N 118.418 0.554 . . . . 0.0 110.545 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.26 161.58 45.29 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.464 2.776 . . . . 0.0 109.955 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.2 t -58.61 -21.52 53.68 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.857 0.463 . . . . 0.0 112.154 -175.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.33 -14.2 80.95 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.426 -0.652 . . . . 0.0 112.715 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -118.34 -6.2 10.8 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 118.149 0.975 . . . . 0.0 112.16 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.426 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 54.1 t -57.29 -51.68 79.9 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-O 118.497 -0.763 . . . . 0.0 111.965 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.6 Cg_endo -67.11 -22.55 47.15 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 121.372 1.381 . . . . 0.0 111.907 -174.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -84.66 -32.13 23.79 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.033 0.378 . . . . 0.0 110.784 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.7 t -80.76 -29.55 11.72 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 C-N-CA 122.519 0.328 . . . . 0.0 110.238 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.7 t -70.85 -38.44 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -72.59 -27.84 62.42 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -77.94 -24.19 48.3 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.195 -0.316 . . . . 0.0 110.404 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.35 -31.32 58.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 122.066 -0.396 . . . . 0.0 111.133 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -81.9 -32.44 30.94 Favored 'General case' 0 C--N 1.341 0.198 0 O-C-N 122.032 -0.418 . . . . 0.0 110.975 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.54 -30.44 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 O-C-N 121.695 -0.628 . . . . 0.0 110.227 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -73.4 -32.5 64.48 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.37 -29.66 57.27 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.76 -0.2 . . . . 0.0 110.556 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -62.6 -42.32 99.5 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 118.263 0.483 . . . . 0.0 111.143 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -92.07 -6.42 51.02 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.21 -7.2 16.06 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tt -72.31 -18.56 61.77 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.963 0.505 . . . . 0.0 110.445 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.77 -7.55 51.16 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.19 -0.319 . . . . 0.0 110.413 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -113.87 7.76 17.1 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.967 0.907 . . . . 0.0 110.748 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -69.25 131.32 44.7 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 -99.46 -14.49 19.08 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.64 21.06 77.72 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.554 -0.619 . . . . 0.0 111.554 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -68.37 -10.31 54.16 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.119 0.568 . . . . 0.0 111.367 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.9 t -157.55 174.12 15.85 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.207 1.003 . . . . 0.0 109.088 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.5 155.62 11.86 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 122.806 0.442 . . . . 0.0 110.013 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.24 -33.56 76.1 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -172.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -72.42 -25.18 61.38 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.959 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.401 HG23 ' H62' ' B' ' 7' ' ' ' DA' . 16.1 m -65.54 -35.59 81.29 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -81.99 -33.6 30.07 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.254 0.622 . . . . 0.0 110.492 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -33.93 71.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -64.8 -42.22 95.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -68.06 -33.89 75.41 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-O 119.579 -0.248 . . . . 0.0 111.438 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.5 mt -74.99 -37.44 41.14 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.143 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.84 74.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.97 -34.69 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.173 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -78.39 -23.11 46.95 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 119.403 -0.332 . . . . 0.0 110.859 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.5 m -74.74 -38.66 62.2 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 118.755 0.707 . . . . 0.0 109.318 175.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.79 -31.06 61.63 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.368 -0.208 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -81.77 -28.01 33.47 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 122.136 -0.353 . . . . 0.0 111.295 178.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -73.54 -21.14 60.46 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 118.068 0.394 . . . . 0.0 110.193 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -75.86 -31.92 59.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.563 0.345 . . . . 0.0 111.062 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.71 -28.41 62.65 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.181 -0.324 . . . . 0.0 111.402 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.9 m -91.82 -15.58 8.22 Favored 'Isoleucine or valine' 0 C--N 1.337 0.046 0 CA-C-N 117.809 0.277 . . . . 0.0 111.509 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.42 -20.56 60.7 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.097 0.159 . . . . 0.0 110.595 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -108.29 -20.47 13.13 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.966 0.506 . . . . 0.0 111.284 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.94 -12.31 81.37 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -90.5 12.05 19.86 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.396 0.678 . . . . 0.0 112.037 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -61.96 -14.99 40.1 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.834 0.853 . . . . 0.0 111.908 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.6 pp -130.31 16.89 5.49 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.144 0.578 . . . . 0.0 111.503 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -119.09 0.88 11.35 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.469 0.708 . . . . 0.0 111.059 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.4 tp -127.85 -5.75 5.67 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.412 0.685 . . . . 0.0 111.053 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 117.319 -1.324 . . . . 0.0 110.47 -179.579 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 1 O4'-C1'-N19 111.917 5.146 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.843 1 O4'-C1'-N19 111.729 4.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.451 0 P-O3'-C3' 122.246 2.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.304 0 O4'-C4'-C3' 109.195 3.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 0 O4'-C1'-N19 110.068 2.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.341 1 O4'-C1'-N19 111.749 4.936 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.401 ' H62' HG23 ' A' ' 72' ' ' THR . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.841 3.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.6 ttp . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -150.77 164.66 35.66 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 122.913 0.485 . . . . 0.0 110.279 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.63 5.66 30.85 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.007 0.523 . . . . 0.0 110.61 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -129.7 165.85 21.02 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.024 0.93 . . . . 0.0 109.868 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mp -80.92 79.91 7.5 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.8 p -77.1 178.0 7.37 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.588 0.755 . . . . 0.0 110.574 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.17 -14.95 28.87 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.587 0.355 . . . . 0.0 111.58 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -72.31 -43.38 64.27 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.779 -0.575 . . . . 0.0 110.747 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.1 m -84.47 -24.34 7.4 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 O-C-N 122.007 -0.433 . . . . 0.0 110.501 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.5 tp -77.07 -28.85 54.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.878 -0.146 . . . . 0.0 110.729 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.9 t -76.95 -36.68 25.68 Favored 'Isoleucine or valine' 0 C--O 1.23 0.074 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -70.94 -26.15 63.05 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 121.882 -0.511 . . . . 0.0 110.193 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -75.87 -28.05 58.01 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.604 0.361 . . . . 0.0 110.918 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.43 -28.89 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 CA-C-N 117.94 0.336 . . . . 0.0 110.188 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -70.96 -15.49 62.59 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.162 0.437 . . . . 0.0 109.99 174.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -78.44 -2.23 37.47 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.917 0.487 . . . . 0.0 110.63 173.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.05 10.04 63.04 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 123.357 0.503 . . . . 0.0 112.632 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -81.45 112.52 18.78 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.047 0.924 . . . . 0.0 110.503 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -80.08 -27.79 39.22 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.475 0.31 . . . . 0.0 110.913 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.633 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.8 mmpt? -66.6 -32.18 73.35 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.19 -28.82 62.41 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.768 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -75.45 -34.2 60.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.861 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -59.57 -37.51 78.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.1 -0.375 . . . . 0.0 110.772 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.62 -23.62 58.73 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.378 0.536 . . . . 0.0 110.359 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.6 tp -75.78 -28.8 58.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.6 t -72.12 -46.18 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.3 -23.39 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 117.811 0.278 . . . . 0.0 110.818 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -72.28 -38.85 68.71 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.018 0.527 . . . . 0.0 111.586 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -114.37 -1.19 13.58 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -174.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -58.75 -30.96 67.9 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 119.418 1.008 . . . . 0.0 112.96 -174.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -86.93 -27.19 23.5 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.549 0.613 . . . . 0.0 111.249 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -80.46 -34.75 35.71 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.33 0.252 . . . . 0.0 110.412 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 p -79.56 -29.07 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.37 -25.23 64.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.177 -0.327 . . . . 0.0 110.341 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.7 m -79.45 -21.85 44.93 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.937 0.495 . . . . 0.0 110.267 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 tp -84.86 -45.63 12.09 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.9 m -77.19 -22.24 14.47 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.04 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.543 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.8 p -62.24 -14.57 39.71 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.772 0.26 . . . . 0.0 110.954 177.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -78.4 -9.82 59.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.319 0.648 . . . . 0.0 111.332 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -126.74 -14.67 5.63 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.63 152.93 75.46 Favored Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 118.37 0.532 . . . . 0.0 110.599 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -69.94 160.41 49.75 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.466 2.778 . . . . 0.0 109.797 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.5 m -59.2 -15.25 13.96 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.573 0.749 . . . . 0.0 112.828 -175.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.4 -15.14 80.5 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-O 119.394 -0.67 . . . . 0.0 112.491 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -118.73 -4.76 10.71 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 117.962 0.881 . . . . 0.0 112.144 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.443 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 56.1 t -57.45 -50.19 89.57 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.333 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.9 Cg_endo -67.16 -22.03 47.64 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 121.491 1.46 . . . . 0.0 111.982 -174.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -84.5 -31.77 24.31 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 118.15 0.432 . . . . 0.0 110.694 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 73.7 t -80.88 -29.62 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 C-N-CA 122.357 0.263 . . . . 0.0 110.374 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.7 t -72.2 -38.12 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 176.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -73.25 -27.06 61.37 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.311 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -78.53 -24.14 45.87 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.123 -0.36 . . . . 0.0 110.286 176.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.69 -30.5 56.74 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 122.263 -0.273 . . . . 0.0 111.302 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -82.55 -34.92 27.65 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 118.06 0.391 . . . . 0.0 110.922 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.64 -28.48 27.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 118.516 0.598 . . . . 0.0 110.095 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -75.31 -31.63 60.72 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.31 -32.9 64.88 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.65 -40.14 96.12 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.214 0.461 . . . . 0.0 111.527 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -85.61 -9.95 56.53 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.36 -7.44 14.8 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 tt -73.59 -19.99 60.73 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 122.653 0.381 . . . . 0.0 110.746 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.38 -8.54 55.55 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.084 -0.385 . . . . 0.0 110.2 174.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 m -114.85 6.08 15.35 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.043 0.937 . . . . 0.0 111.082 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -68.04 131.3 45.2 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -99.41 -17.45 17.97 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.94 22.72 68.18 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.87 -9.33 43.81 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.148 0.579 . . . . 0.0 110.716 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.0 t -156.53 173.19 17.28 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.212 1.005 . . . . 0.0 108.834 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.69 154.51 11.53 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -62.65 -34.38 76.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 121.815 -0.553 . . . . 0.0 112.36 -172.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -75.62 -19.6 59.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 119.961 -0.696 . . . . 0.0 111.752 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.412 HG23 ' H62' ' B' ' 7' ' ' ' DA' . 18.8 m -69.23 -34.64 75.14 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 76.0 t90 -82.3 -29.03 31.37 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.166 0.586 . . . . 0.0 110.751 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.44 -40.19 62.11 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -62.44 -37.73 87.0 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -68.5 -36.93 79.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.684 0.794 . . . . 0.0 111.059 -177.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.4 mt -77.42 -37.01 24.49 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.148 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.76 82.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -175.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.431 HG22 ' HE2' ' A' ' 83' ' ' LYS . 9.0 p -72.86 -36.54 52.29 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.885 177.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -76.64 -18.3 58.67 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 119.432 -0.318 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.4 m -79.78 -38.59 32.77 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 118.73 0.695 . . . . 0.0 109.496 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.07 -31.49 62.86 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.295 -0.253 . . . . 0.0 110.731 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.431 ' HE2' HG22 ' A' ' 79' ' ' VAL . 47.8 mtmt -76.45 -30.81 57.5 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 121.834 -0.541 . . . . 0.0 110.746 176.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -71.73 -22.43 61.62 Favored 'General case' 0 CA--C 1.527 0.078 0 CA-C-N 118.022 0.374 . . . . 0.0 110.107 176.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -76.02 -26.53 56.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.346 0.258 . . . . 0.0 110.897 177.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.4 mt -81.2 -21.21 39.78 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.665 -0.647 . . . . 0.0 112.192 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.9 m -96.22 -15.99 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.076 0 CA-C-N 118.054 0.388 . . . . 0.0 111.229 178.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.96 -25.5 43.49 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 122.279 0.232 . . . . 0.0 110.729 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -104.91 -14.92 15.3 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.033 0.533 . . . . 0.0 110.802 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.01 -15.62 76.83 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-O 119.968 -0.351 . . . . 0.0 112.225 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -95.95 -0.75 50.36 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 117.195 0.498 . . . . 0.0 112.122 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -80.54 -3.31 49.72 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 122.652 0.381 . . . . 0.0 111.858 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.3 pp -139.55 16.8 2.54 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.948 0.499 . . . . 0.0 111.464 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -130.17 -7.88 4.32 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.282 0.633 . . . . 0.0 111.108 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 45.0 tp -79.26 -11.86 59.95 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.861 0.465 . . . . 0.0 110.82 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 116.978 -1.487 . . . . 0.0 110.841 -179.038 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.402 " H3'" H5'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.416 -2.714 1 O4'-C1'-N19 113.062 6.577 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.402 H5'' " H3'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.328 1 O4'-C1'-N19 111.031 4.039 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.629 0 O4'-C1'-N19 110.555 3.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 0 O4'-C4'-C3' 108.979 3.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.177 0 O4'-C1'-N19 109.922 2.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.503 1 O4'-C1'-N19 111.121 4.151 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.412 ' H62' HG23 ' A' ' 72' ' ' THR . . . . . . . . 0 C5'--C4' 1.529 2.199 1 O4'-C1'-N19 111.574 4.718 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 120.294 0.092 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 57.63 -176.32 0.07 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.825 0.85 . . . . 0.0 112.16 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 53.43 21.42 2.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.354 1.061 . . . . 0.0 112.864 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -146.28 145.74 30.48 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.954 0.501 . . . . 0.0 109.945 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mp -88.79 82.84 6.71 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p -73.4 175.96 6.47 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.396 0.678 . . . . 0.0 110.483 178.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.75 -14.81 35.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.132 -0.355 . . . . 0.0 111.702 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -73.67 -44.94 55.36 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.703 -0.623 . . . . 0.0 110.489 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.8 m -84.17 -23.24 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-N 117.804 0.274 . . . . 0.0 110.692 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.6 tp -77.7 -28.6 51.0 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.9 t -76.04 -38.24 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -66.37 -29.04 69.13 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -79.16 -30.12 43.39 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.333 0.253 . . . . 0.0 111.353 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.9 t -76.28 -37.78 32.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-N 118.162 0.437 . . . . 0.0 111.291 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -76.07 -15.17 60.16 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.31 0.504 . . . . 0.0 111.291 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -79.3 2.84 19.96 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.777 0.431 . . . . 0.0 111.641 170.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.23 5.62 40.13 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-O 119.03 -0.872 . . . . 0.0 114.827 171.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -85.38 109.84 18.71 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.945 1.372 . . . . 0.0 110.344 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -80.24 -29.18 38.4 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 121.947 -0.471 . . . . 0.0 111.115 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.61 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.8 mmpt? -71.27 -30.99 66.96 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.89 -26.93 67.85 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -75.67 -31.07 59.6 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.49 -35.28 79.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 122.135 -0.353 . . . . 0.0 110.335 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.22 -26.22 60.12 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 122.239 -0.288 . . . . 0.0 110.325 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.7 tp -75.24 -28.24 59.79 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.425 0.29 . . . . 0.0 110.242 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.8 t -72.35 -45.41 60.62 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.3 t -64.62 -23.7 33.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 O-C-N 122.202 -0.311 . . . . 0.0 110.685 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -72.58 -37.71 68.09 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.264 0.625 . . . . 0.0 111.903 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -114.68 -1.4 13.32 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -175.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -58.85 -32.16 69.18 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 119.338 0.972 . . . . 0.0 113.044 -173.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -86.74 -26.69 24.07 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.024 0.375 . . . . 0.0 111.01 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -81.54 -33.27 31.86 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.558 0.343 . . . . 0.0 110.609 -177.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.8 p -79.8 -29.33 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.77 -28.57 66.91 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.083 -0.385 . . . . 0.0 110.854 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.5 m -78.33 -22.32 48.26 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.205 0.202 . . . . 0.0 110.689 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.5 tp -82.24 -43.84 17.09 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-O 119.39 -0.338 . . . . 0.0 111.686 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.2 m -78.41 -20.24 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.05 0 CA-C-N 118.75 0.705 . . . . 0.0 111.186 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.5 t -61.69 -16.14 46.4 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.714 0.292 . . . . 0.0 110.528 176.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -78.88 -12.35 60.03 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.081 0.552 . . . . 0.0 111.448 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.94 -13.37 5.77 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.42 154.59 77.05 Favored Pre-proline 0 N--CA 1.463 0.21 0 CA-C-N 118.709 0.686 . . . . 0.0 111.2 176.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -58.85 156.27 33.97 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.628 2.885 . . . . 0.0 111.011 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.3 p -62.24 -17.94 59.79 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.58 -13.14 83.52 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 119.595 -0.558 . . . . 0.0 112.149 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -117.0 -4.49 11.5 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.044 0.922 . . . . 0.0 111.839 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.435 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 46.6 t -58.24 -51.19 83.62 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-O 118.281 -0.866 . . . . 0.0 112.002 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 59.9 Cg_endo -66.83 -23.1 48.33 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 121.546 1.497 . . . . 0.0 112.12 -174.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -84.39 -31.95 24.43 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 117.97 0.35 . . . . 0.0 110.774 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.2 t -81.8 -29.19 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 122.427 0.291 . . . . 0.0 110.305 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.2 t -70.32 -38.65 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -71.59 -28.08 63.58 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.314 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.28 -24.62 46.71 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 122.171 -0.331 . . . . 0.0 110.258 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.57 -30.79 52.74 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.257 -0.277 . . . . 0.0 111.214 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -80.56 -34.38 35.41 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 117.905 0.32 . . . . 0.0 110.847 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.86 -29.66 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 118.598 0.636 . . . . 0.0 110.502 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -73.3 -32.25 64.51 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.79 -35.19 62.52 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.26 -37.6 83.7 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 118.279 0.49 . . . . 0.0 111.509 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -90.5 -9.93 45.47 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.45 -6.25 15.5 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 tt -73.41 -22.99 60.09 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.183 0.593 . . . . 0.0 111.146 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.31 -10.16 56.57 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.06 -0.4 . . . . 0.0 110.568 176.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.5 m -109.18 6.9 25.18 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.861 0.864 . . . . 0.0 110.915 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -67.75 132.1 46.8 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -99.55 -16.34 18.32 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.43 22.1 71.12 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -68.53 -9.13 47.22 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.048 0.539 . . . . 0.0 111.051 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.7 t -157.4 174.15 15.84 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.03 0.932 . . . . 0.0 108.833 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.47 155.06 12.73 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -63.71 -33.19 75.1 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -173.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -74.46 -22.59 59.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 120.0 -0.68 . . . . 0.0 111.321 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 m -67.91 -33.86 75.53 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -82.05 -33.82 29.74 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.24 0.616 . . . . 0.0 110.482 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.69 -35.09 72.62 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -64.41 -39.78 94.51 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.867 0.467 . . . . 0.0 110.061 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -67.59 -36.63 81.24 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 117.431 0.105 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.6 mt -74.67 -36.23 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.75 73.8 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 117.891 0.314 . . . . 0.0 111.746 -175.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.3 p -72.72 -32.61 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 CA-C-N 118.146 0.43 . . . . 0.0 110.061 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -82.53 -22.03 35.16 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.411 -0.328 . . . . 0.0 111.202 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.5 m -75.85 -38.97 57.46 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 118.85 0.75 . . . . 0.0 109.308 175.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.65 -28.15 58.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 122.279 -0.263 . . . . 0.0 110.836 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -81.65 -32.36 31.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.015 -0.428 . . . . 0.0 110.884 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -71.64 -21.1 61.87 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -74.63 -27.29 60.38 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 122.226 -0.296 . . . . 0.0 110.737 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.45 -21.14 53.41 Favored 'General case' 0 C--N 1.338 0.108 0 O-C-N 121.831 -0.543 . . . . 0.0 112.279 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.5 m -96.3 -14.9 7.7 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.129 0 CA-C-N 118.419 0.554 . . . . 0.0 111.162 176.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.54 -21.49 48.68 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.028 -0.42 . . . . 0.0 110.788 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -114.06 -15.13 12.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.094 0.558 . . . . 0.0 110.707 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.83 -13.17 80.21 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 112.074 -0.411 . . . . 0.0 112.074 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -100.83 3.47 42.02 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 117.391 0.596 . . . . 0.0 111.427 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -87.71 -17.93 30.63 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.47 0.708 . . . . 0.0 111.778 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 81.5 mt -137.85 32.28 2.46 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.682 0.793 . . . . 0.0 110.293 -172.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.74 -12.1 51.09 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.436 0.695 . . . . 0.0 111.134 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 95' ' ' LEU . 3.3 mm? -80.9 5.04 17.34 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.463 0.705 . . . . 0.0 111.24 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 50.0 t . . . . . 0 C--O 1.25 1.101 0 CA-C-O 117.136 -1.412 . . . . 0.0 110.105 -178.926 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.704 1 O4'-C1'-N19 111.81 5.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.475 1 O4'-C1'-N19 111.839 5.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.615 0 O4'-C1'-N19 110.627 3.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.428 0 O4'-C4'-C3' 109.243 3.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 O4'-C1'-N19 110.046 2.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.544 1 O4'-C1'-N19 111.464 4.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.2 0 O4'-C1'-N19 110.753 3.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 N--CA 1.477 0.889 0 CA-C-O 120.364 0.126 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m 55.88 27.19 10.64 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.707 0.803 . . . . 0.0 112.684 -176.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -87.59 165.15 15.66 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.51 0.724 . . . . 0.0 110.692 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -145.12 155.49 43.34 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 123.087 0.555 . . . . 0.0 110.504 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 mp -94.19 79.9 4.01 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.762 0.425 . . . . 0.0 109.974 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.7 p -66.8 167.99 10.41 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -64.58 -17.97 64.45 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 121.93 -0.481 . . . . 0.0 111.155 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -76.35 -46.82 25.77 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.151 -0.343 . . . . 0.0 110.543 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.96 -27.02 10.9 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 CA-C-N 117.891 0.314 . . . . 0.0 110.678 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.0 tp -70.98 -27.52 63.77 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.1 t -77.88 -34.52 19.71 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 O-C-N 122.33 -0.231 . . . . 0.0 110.469 175.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.79 -29.64 68.87 Favored 'General case' 0 C--N 1.337 0.059 0 O-C-N 121.83 -0.544 . . . . 0.0 109.884 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -71.53 -31.63 67.26 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -74.4 -29.46 24.24 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -71.38 -15.43 62.37 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.235 0.47 . . . . 0.0 110.889 176.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -84.32 4.62 30.32 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.666 0.387 . . . . 0.0 111.149 173.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.94 7.25 64.51 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-O 119.451 -0.638 . . . . 0.0 112.868 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -79.7 108.19 13.05 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 118.261 1.03 . . . . 0.0 109.94 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -80.16 -25.05 39.97 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.225 -0.297 . . . . 0.0 110.467 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.625 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -73.15 -30.37 63.54 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 122.093 -0.379 . . . . 0.0 110.167 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.79 -28.33 67.5 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -74.43 -30.45 61.91 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.831 -0.347 . . . . 0.0 110.092 177.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -65.67 -36.14 82.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.834 -0.541 . . . . 0.0 110.28 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.63 -26.95 61.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.4 tp -75.39 -29.5 59.85 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.685 0.394 . . . . 0.0 110.133 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.5 t -72.08 -46.18 59.97 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.098 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.79 -23.7 33.99 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 O-C-N 122.252 -0.28 . . . . 0.0 110.537 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -75.55 -32.77 60.56 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.779 0.432 . . . . 0.0 111.803 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -116.19 -2.74 12.11 Favored 'General case' 0 C--O 1.228 -0.059 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -59.04 -31.9 69.26 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 119.18 0.9 . . . . 0.0 112.87 -172.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.2 p-80 -85.44 -27.03 26.0 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.115 0.416 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -81.52 -34.79 31.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.6 p -78.68 -29.89 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 110.537 -0.172 . . . . 0.0 110.537 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.0 -26.75 66.06 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.3 m -79.31 -22.01 45.18 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 122.688 0.395 . . . . 0.0 110.853 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.9 tp -83.5 -43.33 15.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.804 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 m -80.49 -21.45 11.47 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.059 0 CA-C-N 118.777 0.717 . . . . 0.0 111.639 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.9 p -63.38 -15.6 57.99 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.102 0.41 . . . . 0.0 110.862 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -75.56 -11.6 60.05 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.141 0.576 . . . . 0.0 110.904 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -126.95 -13.16 5.8 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -174.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.6 m -137.07 155.43 76.13 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 118.633 0.651 . . . . 0.0 111.31 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 157.41 35.13 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.613 2.875 . . . . 0.0 110.97 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.1 p -62.1 -18.54 61.09 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 111.628 0.232 . . . . 0.0 111.628 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.67 -12.96 83.68 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.523 -0.599 . . . . 0.0 112.324 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -117.9 -3.93 11.14 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.07 0.935 . . . . 0.0 111.957 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.444 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.9 t -58.01 -50.54 87.54 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.724 177.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.5 Cg_endo -66.59 -22.72 50.57 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 CA-C-N 120.709 1.289 . . . . 0.0 111.865 -175.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -82.6 -32.6 28.32 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.012 -0.43 . . . . 0.0 110.633 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 77.6 t -82.57 -27.8 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 122.621 0.368 . . . . 0.0 110.539 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.0 t -72.55 -34.98 49.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -74.48 -21.09 59.75 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 121.177 -0.209 . . . . 0.0 110.534 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -84.73 -21.25 30.15 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.048 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.24 -34.56 28.79 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 122.166 -0.334 . . . . 0.0 111.461 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -80.59 -32.85 36.34 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 118.097 0.408 . . . . 0.0 110.92 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.16 -28.3 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -74.63 -31.79 62.1 Favored 'General case' 0 C--N 1.339 0.115 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.48 -35.7 63.28 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -62.95 -37.56 87.54 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.15 0.432 . . . . 0.0 111.44 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -87.92 -9.81 52.49 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.18 -6.85 15.42 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 177.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 tt -74.72 -18.89 60.43 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.56 0.744 . . . . 0.0 111.074 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.41 -8.76 53.31 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.225 -0.297 . . . . 0.0 110.414 175.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.4 m -114.94 8.58 15.91 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.864 0.866 . . . . 0.0 111.159 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -67.58 131.8 46.33 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -99.45 -18.57 17.39 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 123.154 0.582 . . . . 0.0 112.499 -174.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.15 21.23 74.03 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -69.38 -7.91 41.77 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.34 0.656 . . . . 0.0 111.368 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.3 t -158.05 173.08 17.29 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.0 0.92 . . . . 0.0 109.272 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.45 152.66 21.08 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.78 -33.3 75.36 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -172.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -73.46 -22.16 60.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.822 0.737 . . . . 0.0 111.151 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.6 m -68.56 -34.3 75.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -81.95 -32.07 30.94 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.169 0.587 . . . . 0.0 110.227 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.23 -35.52 71.49 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -64.18 -39.77 94.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -67.31 -36.44 81.5 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-O 119.714 -0.184 . . . . 0.0 110.764 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.15 -38.11 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.77 -40.25 79.79 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 118.097 0.408 . . . . 0.0 111.904 -174.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.33 -34.66 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.049 0 CA-C-N 118.177 0.444 . . . . 0.0 110.413 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -80.4 -16.87 53.46 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.25 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.5 m -82.63 -39.6 21.92 Favored 'General case' 0 CA--C 1.523 -0.083 0 CA-C-N 118.422 0.555 . . . . 0.0 109.524 174.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.73 -30.84 64.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 122.44 -0.163 . . . . 0.0 110.817 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -81.06 -27.03 35.88 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.269 -0.269 . . . . 0.0 111.278 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -75.14 -23.18 57.78 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -74.13 -32.34 63.13 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 121.876 -0.515 . . . . 0.0 110.905 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.99 -30.34 65.14 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.039 -0.413 . . . . 0.0 111.332 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.1 m -91.65 -16.72 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 CA-C-N 117.715 0.234 . . . . 0.0 111.37 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.03 -19.5 60.61 Favored 'General case' 0 N--CA 1.457 -0.109 0 O-C-N 122.295 -0.253 . . . . 0.0 110.632 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -109.87 -20.44 12.77 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.709 0.404 . . . . 0.0 111.301 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.04 -15.86 73.74 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-O 119.965 -0.353 . . . . 0.0 112.234 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -101.93 11.62 38.26 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 117.629 0.715 . . . . 0.0 111.793 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 -69.66 -22.59 63.44 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.1 mt -132.76 -15.62 2.67 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.063 0.945 . . . . 0.0 110.27 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 52.74 23.35 2.68 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.753 1.221 . . . . 0.0 112.524 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 49.7 tp -145.0 -23.38 0.5 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.153 0.581 . . . . 0.0 111.448 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.251 1.155 0 CA-C-O 116.559 -1.686 . . . . 0.0 111.48 179.565 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.599 1 O4'-C1'-N19 112.225 5.531 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.612 " H1'" ' C6 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.883 1 O4'-C1'-N19 112.287 5.608 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.612 ' C6 ' " H1'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.42 -2.373 1 C5'-C4'-C3' 108.54 -4.106 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.467 0 O4'-C4'-C3' 109.028 3.428 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.974 0 O4'-C1'-N19 109.72 2.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.528 1 O4'-C1'-N19 111.782 4.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 1 O4'-C1'-N19 111.054 4.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.7 ttp . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 110.61 -0.144 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -149.69 168.92 22.27 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.41 0.684 . . . . 0.0 110.58 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -127.71 3.35 6.09 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.712 0.405 . . . . 0.0 111.33 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -149.97 146.55 27.09 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.704 0.801 . . . . 0.0 109.048 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.7 mp -87.49 83.32 7.29 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.6 p -68.94 173.13 5.67 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.321 0.648 . . . . 0.0 110.23 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.08 -14.87 53.6 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.242 -0.286 . . . . 0.0 111.078 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -52.31 14.01 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 m -77.15 -25.99 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 117.842 0.292 . . . . 0.0 110.838 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.1 tp -74.18 -28.37 61.26 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.0 t -77.55 -35.12 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 175.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -70.74 -28.53 64.78 Favored 'General case' 0 C--N 1.338 0.074 0 O-C-N 121.91 -0.494 . . . . 0.0 110.523 176.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -72.51 -30.29 64.36 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 122.29 -0.256 . . . . 0.0 110.473 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.5 t -75.31 -28.43 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -72.09 -15.74 62.01 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.024 -0.422 . . . . 0.0 110.893 176.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -83.98 4.3 30.39 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.49 0.316 . . . . 0.0 110.93 173.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.47 6.88 63.91 Favored Glycine 0 CA--C 1.527 0.833 0 CA-C-O 119.768 -0.462 . . . . 0.0 112.848 175.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -78.76 108.76 12.43 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.249 1.024 . . . . 0.0 109.66 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -80.12 -26.84 39.3 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.625 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.6 mmpt? -72.3 -30.17 64.54 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.37 67.84 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -74.8 -29.92 61.25 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -65.84 -35.33 80.37 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 122.054 -0.404 . . . . 0.0 110.273 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.36 -25.25 59.4 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 122.02 -0.425 . . . . 0.0 109.926 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -76.38 -29.68 57.22 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.3 t -71.51 -46.1 65.06 Favored 'Isoleucine or valine' 0 C--N 1.339 0.123 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.9 t -64.32 -23.79 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 CA-C-N 117.775 0.261 . . . . 0.0 110.429 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -75.69 -32.73 60.22 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.606 0.362 . . . . 0.0 111.596 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -115.55 -2.86 12.42 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -59.85 -30.61 69.08 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.652 1.115 . . . . 0.0 113.027 -173.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -85.4 -27.65 25.65 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 118.097 0.408 . . . . 0.0 110.888 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -82.12 -33.34 29.73 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.494 0.318 . . . . 0.0 110.557 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 p -80.99 -29.33 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.38 -26.47 65.58 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.172 -0.33 . . . . 0.0 110.254 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 m -79.25 -22.4 44.82 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.516 0.326 . . . . 0.0 110.33 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.3 tp -84.22 -43.39 14.94 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.446 0.298 . . . . 0.0 111.743 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 m -78.97 -21.22 12.75 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.375 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.4 t -61.34 -15.58 37.39 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 122.257 -0.277 . . . . 0.0 110.929 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -80.22 -10.46 59.76 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.347 0.659 . . . . 0.0 111.41 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -127.1 -14.1 5.54 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.0 m -137.14 154.67 75.97 Favored Pre-proline 0 N--CA 1.461 0.122 0 CA-C-N 118.403 0.547 . . . . 0.0 110.264 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.94 161.1 47.25 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.254 2.636 . . . . 0.0 109.889 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.8 p -60.26 -18.83 51.71 Favored 'General case' 0 CA--C 1.526 0.055 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.27 -14.41 82.36 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 119.276 -0.735 . . . . 0.0 112.487 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -118.45 -6.95 10.72 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 117.997 0.898 . . . . 0.0 112.143 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.441 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 49.9 t -55.95 -50.86 84.81 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-O 118.291 -0.861 . . . . 0.0 112.217 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.4 Cg_endo -66.51 -22.45 51.53 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 121.579 1.519 . . . . 0.0 111.95 -173.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -86.21 -29.59 23.06 Favored 'General case' 0 C--N 1.335 -0.042 0 CA-C-N 118.045 0.384 . . . . 0.0 111.088 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.6 t -81.81 -31.01 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -69.91 -37.06 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -72.54 -26.35 61.71 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.763 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -81.73 -25.42 35.41 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.89 -31.5 59.25 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.133 0.173 . . . . 0.0 111.211 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -81.93 -33.89 30.13 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.02 0.373 . . . . 0.0 110.812 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.5 -29.64 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 118.741 0.701 . . . . 0.0 109.925 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -71.73 -34.41 69.53 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.68 -33.2 62.42 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.265 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -62.35 -39.8 94.3 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 118.009 0.368 . . . . 0.0 111.56 -176.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -92.91 -8.21 43.94 Favored 'General case' 0 C--N 1.339 0.127 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -103.77 -8.65 19.66 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.115 0.416 . . . . 0.0 111.915 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.7 tt -75.29 -18.41 60.06 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.708 0.803 . . . . 0.0 111.207 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.9 -8.86 52.2 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 122.286 -0.258 . . . . 0.0 110.539 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.7 m -114.86 7.14 15.64 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.006 0.922 . . . . 0.0 111.05 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -67.75 129.83 41.13 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -99.5 -15.96 18.49 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.07 22.29 71.67 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -69.22 -7.76 39.63 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.141 0.577 . . . . 0.0 110.96 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.5 t -156.9 172.02 19.39 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.112 0.965 . . . . 0.0 108.947 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.18 153.67 21.55 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -63.95 -33.38 75.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.634 -0.426 . . . . 0.0 112.074 -173.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -71.18 -23.48 62.05 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.677 0.671 . . . . 0.0 110.978 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.4 m -69.63 -34.41 74.02 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -82.27 -29.96 30.9 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 122.997 0.519 . . . . 0.0 110.722 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.16 -40.84 62.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.42 -40.83 97.81 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -65.25 -38.02 89.03 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.446 0.699 . . . . 0.0 111.017 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.2 mt -77.51 -36.37 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.55 -37.91 80.35 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.904 0.32 . . . . 0.0 111.755 -175.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.9 p -74.41 -33.73 34.25 Favored 'Isoleucine or valine' 0 C--N 1.337 0.037 0 CA-C-N 118.336 0.516 . . . . 0.0 110.139 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -78.98 -17.06 56.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 119.434 -0.317 . . . . 0.0 110.985 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.9 m -84.97 -38.65 19.02 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 118.325 0.511 . . . . 0.0 110.164 176.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.25 -28.95 61.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 122.34 -0.225 . . . . 0.0 111.139 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -80.27 -31.64 38.31 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.047 -0.408 . . . . 0.0 110.679 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -76.01 -19.15 58.92 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.068 0.461 . . . . 0.0 109.903 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -74.46 -30.07 61.72 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 121.865 -0.522 . . . . 0.0 110.521 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.12 -38.42 69.29 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.015 0.371 . . . . 0.0 111.221 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.49 -19.12 14.95 Favored 'Isoleucine or valine' 0 C--N 1.339 0.111 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.609 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.4 -25.11 65.78 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 122.149 -0.344 . . . . 0.0 110.492 175.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -76.22 -32.32 58.88 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 121.336 -0.146 . . . . 0.0 110.771 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.49 -25.65 38.53 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.898 -0.39 . . . . 0.0 112.697 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -87.58 -10.02 52.73 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 117.669 0.734 . . . . 0.0 111.921 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.0 ttp-105 -70.79 -24.84 62.65 Favored 'General case' 0 C--O 1.227 -0.09 0 CA-C-N 117.859 0.3 . . . . 0.0 110.379 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.97 6.01 34.38 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.53 0.732 . . . . 0.0 110.562 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -123.3 6.77 9.06 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.568 0.747 . . . . 0.0 110.727 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 37.8 tp -105.21 -7.78 18.77 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.436 0.694 . . . . 0.0 110.986 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.088 -1.434 . . . . 0.0 110.308 179.91 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 111.774 4.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.421 " H1'" ' C6 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.579 0 O4'-C1'-N19 110.95 3.938 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.421 ' C6 ' " H1'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.422 -2.14 2 O4'-C1'-N19 111.587 4.734 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.726 0 O4'-C4'-C3' 108.916 3.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.553 0 O4'-C1'-N19 110.068 2.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.485 1 O4'-C1'-N19 111.499 4.624 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.484 0 O4'-C4'-C3' 108.131 2.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 110.91 -0.033 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 m -136.76 12.01 3.15 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.145 0.578 . . . . 0.0 111.635 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.46 ' HG2' ' H ' ' A' ' 5' ' ' LEU . 39.2 tt0 -145.51 147.89 32.63 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -132.49 13.47 4.53 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.256 0.623 . . . . 0.0 111.337 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.46 ' H ' ' HG2' ' A' ' 3' ' ' GLU . 6.7 mp -108.33 34.16 3.77 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.155 0.982 . . . . 0.0 109.974 -176.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.8 p -65.36 173.89 2.39 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.85 0.86 . . . . 0.0 111.175 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -66.78 -14.57 62.77 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 122.225 -0.297 . . . . 0.0 111.482 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -72.61 -43.23 63.58 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.043 -0.41 . . . . 0.0 110.511 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.4 p -81.8 -24.23 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 118.027 0.376 . . . . 0.0 110.252 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.2 tp -71.65 -28.1 63.52 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.2 t -75.7 -35.48 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.18 -29.04 66.94 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-N 118.401 0.546 . . . . 0.0 110.233 177.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -72.83 -29.95 63.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 122.311 -0.243 . . . . 0.0 110.65 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.3 t -75.64 -27.78 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -71.92 -15.95 62.1 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.969 0.349 . . . . 0.0 110.621 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -83.45 4.73 26.47 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.507 0.323 . . . . 0.0 110.94 172.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.19 10.47 68.62 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-O 119.615 -0.547 . . . . 0.0 112.892 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -77.53 114.56 16.49 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.187 0.994 . . . . 0.0 110.097 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -80.05 -26.93 39.5 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.695 0.398 . . . . 0.0 111.347 -179.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.6 mmpt? -77.87 -30.24 50.78 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -177.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.53 -29.19 68.53 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -76.2 -31.94 58.71 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -62.3 -36.67 82.84 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 117.982 0.355 . . . . 0.0 110.508 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.77 -32.06 69.06 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.0 tp -71.42 -29.61 65.1 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.434 0.294 . . . . 0.0 110.482 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.3 t -72.04 -39.54 66.14 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -67.73 -24.21 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 O-C-N 122.053 -0.404 . . . . 0.0 110.477 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -75.0 -32.72 61.72 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-O 119.259 -0.4 . . . . 0.0 111.577 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -115.48 0.22 13.29 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 -175.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -60.99 -28.6 69.14 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.569 1.077 . . . . 0.0 112.89 -175.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -85.23 -26.33 26.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.385 0.538 . . . . 0.0 110.597 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.698 ' HE2' ' CZ ' ' A' ' 71' ' ' TYR . 2.4 tmtm? -74.51 -44.71 50.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.536 0.735 . . . . 0.0 110.646 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.405 HG11 ' CE2' ' A' ' 54' ' ' PHE . 11.5 p -74.11 -32.85 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.081 -177.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.98 -25.81 65.61 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.526 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.8 m -82.07 -21.53 36.8 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.046 0.539 . . . . 0.0 110.891 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -87.96 -39.78 14.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.675 0.39 . . . . 0.0 111.453 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -81.36 -23.7 10.33 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 CA-C-N 118.503 0.592 . . . . 0.0 111.094 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 99.0 p -62.27 -15.35 46.84 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.056 0.389 . . . . 0.0 110.696 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 -78.35 -8.57 58.59 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.415 0.686 . . . . 0.0 111.269 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -126.79 -17.86 4.86 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.7 m -133.65 153.59 80.24 Favored Pre-proline 0 CA--C 1.527 0.094 0 CA-C-N 118.551 0.614 . . . . 0.0 111.006 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.29 162.16 42.95 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.23 2.62 . . . . 0.0 109.825 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.7 p -59.92 -17.98 41.49 Favored 'General case' 0 C--N 1.338 0.086 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -174.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.38 -15.65 81.32 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.499 -0.611 . . . . 0.0 112.607 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -118.58 -5.88 10.71 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.669 0.734 . . . . 0.0 112.155 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.451 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.4 t -56.85 -50.1 90.03 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.903 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.5 Cg_endo -67.32 -22.54 45.88 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 121.402 1.401 . . . . 0.0 112.248 -175.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -82.39 -34.44 28.34 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.262 0.483 . . . . 0.0 110.458 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.7 t -79.04 -28.51 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 122.506 0.322 . . . . 0.0 110.195 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.6 t -72.73 -33.59 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.25 -24.24 60.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 119.565 -0.255 . . . . 0.0 111.067 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -81.87 -28.76 32.8 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 118.733 0.697 . . . . 0.0 110.094 174.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.04 75.77 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 121.876 -0.515 . . . . 0.0 111.364 -176.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CE2' HG11 ' A' ' 33' ' ' VAL . 34.9 m-85 -84.29 -32.39 24.39 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 118.219 0.463 . . . . 0.0 111.124 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.09 -30.45 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-N 118.723 0.692 . . . . 0.0 110.002 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -74.45 -32.16 62.51 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.89 -33.63 64.1 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 119.625 -0.226 . . . . 0.0 110.523 176.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -64.3 -37.89 89.1 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 118.418 0.554 . . . . 0.0 111.326 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -87.47 -10.82 50.8 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -106.92 -7.36 17.08 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 tt -74.41 -20.08 60.18 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.359 0.664 . . . . 0.0 110.822 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.99 -8.19 53.09 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.099 -0.376 . . . . 0.0 110.315 174.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.6 m -114.67 12.55 17.18 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.13 0.972 . . . . 0.0 111.225 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -64.93 131.45 46.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 -99.69 -18.44 17.27 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 122.963 0.505 . . . . 0.0 111.993 -173.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.52 20.87 79.91 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 112.082 -0.407 . . . . 0.0 112.082 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -68.76 -10.31 55.82 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 117.521 0.661 . . . . 0.0 111.03 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.7 t -154.72 173.27 16.64 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.256 1.022 . . . . 0.0 108.469 175.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.15 153.56 17.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -62.67 -31.48 72.38 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 122.193 -0.317 . . . . 0.0 111.803 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.698 ' CZ ' ' HE2' ' A' ' 32' ' ' LYS . 62.0 t80 -70.32 -31.18 68.37 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.066 0.394 . . . . 0.0 111.095 -178.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.0 m -64.76 -34.73 79.02 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -81.99 -34.79 29.49 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.695 0.798 . . . . 0.0 111.107 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -35.74 81.97 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -66.85 -41.8 86.76 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.331 -0.366 . . . . 0.0 111.191 -177.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -62.86 -41.95 99.57 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 118.514 0.597 . . . . 0.0 111.191 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.9 mt -69.55 -35.19 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.71 85.22 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -175.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.0 p -76.42 -35.36 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 118.287 0.494 . . . . 0.0 110.35 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -77.35 -17.05 58.58 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 122.265 -0.272 . . . . 0.0 111.082 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.9 m -80.68 -38.46 28.96 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 118.368 0.531 . . . . 0.0 109.69 174.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.0 -29.15 60.8 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.349 -0.22 . . . . 0.0 110.984 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -79.94 -28.53 39.67 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.131 0.423 . . . . 0.0 110.789 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -73.36 -21.63 60.48 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -75.56 -29.9 59.52 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 119.559 -0.258 . . . . 0.0 110.678 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.5 mt -77.66 -32.44 53.2 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 118.13 0.423 . . . . 0.0 111.91 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.5 m -77.37 -22.55 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-N 118.42 0.555 . . . . 0.0 110.02 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.94 -11.11 59.63 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 122.908 0.483 . . . . 0.0 110.407 173.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -96.25 -28.75 14.38 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.243 0.617 . . . . 0.0 110.579 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.12 -14.02 72.93 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 119.863 -0.409 . . . . 0.0 112.416 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -105.36 10.55 33.41 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 117.609 0.704 . . . . 0.0 112.128 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 -70.91 -14.7 62.47 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.625 0.37 . . . . 0.0 111.259 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.2 mt -125.64 17.38 8.11 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.781 0.832 . . . . 0.0 111.495 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -141.22 156.94 45.85 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.799 0.333 . . . . 0.0 110.72 -178.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.0 tp -88.36 6.32 37.84 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.455 0.702 . . . . 0.0 112.09 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.252 1.228 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.071 -178.34 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.271 0 O4'-C1'-N19 110.679 3.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.427 " H4'" " H5'" ' B' ' 3' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.477 1 O4'-C1'-N19 112.957 6.446 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.427 " H5'" " H4'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.386 0 P-O3'-C3' 123.763 3.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.66 0 O4'-C4'-C3' 109.405 3.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 0 O4'-C1'-N19 109.954 2.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.235 1 O4'-C1'-N19 112.284 5.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 0 O4'-C1'-N19 110.98 3.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttm . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -139.12 169.4 17.85 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.259 0.624 . . . . 0.0 110.456 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -127.55 157.31 40.49 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.159 0.584 . . . . 0.0 110.479 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -83.75 156.0 22.77 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.88 26.08 1.91 Allowed 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.1 p -63.16 167.02 5.38 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.19 -17.45 62.42 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.678 -0.638 . . . . 0.0 111.415 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -76.61 -51.52 11.44 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.976 -0.452 . . . . 0.0 110.357 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.34 -28.11 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.048 0 CA-C-N 117.662 0.21 . . . . 0.0 110.625 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp -72.26 -28.9 63.43 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.7 t -77.12 -35.28 22.72 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 CA-C-O 119.42 -0.324 . . . . 0.0 110.758 175.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.52 -29.42 68.82 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 118.355 0.525 . . . . 0.0 110.307 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -80.09 -28.53 39.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.02 0.528 . . . . 0.0 111.71 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.75 -41.46 47.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 118.055 0.389 . . . . 0.0 110.914 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -74.26 -14.83 60.97 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.652 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -69.68 -10.77 59.59 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.687 0.795 . . . . 0.0 110.655 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.52 5.89 36.24 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.191 -0.783 . . . . 0.0 113.107 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -80.14 117.31 20.83 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.609 1.204 . . . . 0.0 110.377 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -80.62 -27.45 37.29 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 122.572 0.349 . . . . 0.0 111.602 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.596 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.9 mmpt? -78.08 -29.5 49.17 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -176.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -26.89 66.95 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -80.41 -36.24 34.03 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.002 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -62.17 -31.78 72.32 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.913 -0.492 . . . . 0.0 110.003 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mp -78.37 -28.07 46.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 tp -75.57 -31.17 59.9 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.813 0.445 . . . . 0.0 110.297 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.9 t -68.57 -48.83 70.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.64 -23.85 28.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 117.665 0.211 . . . . 0.0 110.59 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -65.84 -35.22 80.05 Favored 'General case' 0 N--CA 1.457 -0.122 0 O-C-N 122.149 -0.344 . . . . 0.0 110.966 178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -114.26 0.09 14.06 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -57.72 -40.64 80.07 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 118.785 0.721 . . . . 0.0 112.304 -173.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -81.58 -24.22 36.63 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 121.953 -0.467 . . . . 0.0 110.876 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -83.19 -36.42 24.68 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 122.393 0.277 . . . . 0.0 110.964 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 p -76.78 -27.77 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.19 -33.55 75.63 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.4 m -74.62 -22.05 59.13 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 122.22 0.208 . . . . 0.0 110.843 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.1 tp -82.31 -42.54 18.64 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 119.168 -0.444 . . . . 0.0 111.582 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 m -79.01 -21.57 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.038 0 CA-C-N 118.959 0.8 . . . . 0.0 111.324 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.9 m -60.03 -15.5 23.29 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.097 0.408 . . . . 0.0 111.037 176.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -81.26 -10.7 59.54 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 123.085 0.554 . . . . 0.0 111.52 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.4 ' CE2' HG23 ' A' ' 79' ' ' VAL . 39.5 m-85 -127.06 -13.21 5.73 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -136.87 153.34 75.46 Favored Pre-proline 0 N--CA 1.463 0.223 0 CA-C-N 118.399 0.545 . . . . 0.0 110.729 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -70.09 160.92 47.9 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 123.642 2.895 . . . . 0.0 109.814 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.8 p -59.63 -17.14 31.12 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -174.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.17 -15.6 81.3 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 119.507 -0.607 . . . . 0.0 112.371 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -118.52 -6.01 10.73 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.839 0.82 . . . . 0.0 112.316 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.414 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 71.3 t -57.01 -51.89 78.24 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-O 118.381 -0.819 . . . . 0.0 112.097 -178.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.3 Cg_endo -67.55 -22.96 43.81 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 CA-C-N 120.842 1.337 . . . . 0.0 112.057 -174.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -84.11 -31.87 25.03 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.175 -0.328 . . . . 0.0 110.836 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.6 t -81.49 -29.11 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.053 0 C-N-CA 122.777 0.431 . . . . 0.0 109.995 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.24 -38.05 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -72.65 -28.11 62.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.36 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -78.63 -23.11 46.02 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.133 -0.355 . . . . 0.0 110.279 176.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.95 -30.92 56.26 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 119.606 -0.235 . . . . 0.0 111.364 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -82.95 -33.81 26.62 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 117.995 0.361 . . . . 0.0 110.973 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.87 -29.09 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 118.695 0.679 . . . . 0.0 110.274 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -74.81 -32.67 62.04 Favored 'General case' 0 C--N 1.34 0.162 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.16 -35.79 69.13 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -61.83 -37.93 86.3 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.174 0.443 . . . . 0.0 111.686 -177.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -87.99 -9.9 52.05 Favored 'General case' 0 N--CA 1.457 -0.081 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.73 -5.28 15.02 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.2 tt -75.3 -22.97 57.31 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.356 0.662 . . . . 0.0 111.505 -175.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -70.8 -8.41 52.26 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.938 -0.476 . . . . 0.0 110.067 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m -110.97 9.36 22.22 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.804 0.842 . . . . 0.0 110.929 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -67.17 133.72 50.35 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.6 mtt85 -99.64 -17.9 17.58 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -174.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.24 22.08 76.75 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -68.59 -9.06 47.27 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.217 0.607 . . . . 0.0 110.914 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.2 t -158.41 174.77 14.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.321 1.049 . . . . 0.0 109.271 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.36 155.58 14.43 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -64.31 -32.83 74.58 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 121.947 -0.47 . . . . 0.0 112.04 -173.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -71.5 -25.55 62.3 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.741 0.7 . . . . 0.0 111.078 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 m -66.51 -35.53 80.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -81.82 -33.93 30.48 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.029 0.532 . . . . 0.0 110.393 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.27 -34.65 75.08 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -65.15 -39.52 93.11 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -67.09 -36.71 82.55 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 117.875 0.307 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.412 HG12 ' C5 ' ' B' ' 3' ' ' ' DT' . 51.7 mt -73.8 -38.07 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.1 75.97 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -175.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.4 HG23 ' CE2' ' A' ' 40' ' ' TYR . 9.3 p -72.41 -31.67 39.24 Favored 'Isoleucine or valine' 0 C--N 1.34 0.158 0 CA-C-N 118.154 0.434 . . . . 0.0 110.316 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -83.01 -22.16 33.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 119.428 -0.32 . . . . 0.0 111.272 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.5 m -75.02 -39.06 61.33 Favored 'General case' 0 N--CA 1.458 -0.065 0 CA-C-N 118.741 0.701 . . . . 0.0 109.613 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.72 -28.2 60.69 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -81.39 -31.31 33.31 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.273 -0.267 . . . . 0.0 110.548 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -71.95 -22.76 61.41 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -74.33 -29.48 61.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.234 -0.291 . . . . 0.0 110.968 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.48 -26.33 60.86 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 122.041 -0.412 . . . . 0.0 111.434 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.8 m -94.72 -15.5 7.72 Favored 'Isoleucine or valine' 0 C--N 1.338 0.077 0 CA-C-N 117.973 0.352 . . . . 0.0 111.113 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.26 -23.43 62.89 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 122.175 -0.328 . . . . 0.0 110.274 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -96.34 -23.14 16.78 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.106 0.563 . . . . 0.0 110.775 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -78.47 -18.08 76.54 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.564 -0.614 . . . . 0.0 111.564 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -105.33 14.43 28.87 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 123.695 0.798 . . . . 0.0 111.174 177.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -99.38 -9.24 23.72 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.368 0.667 . . . . 0.0 110.954 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 39.7 tp -130.29 -4.52 4.35 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.676 0.79 . . . . 0.0 110.641 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -146.68 152.04 38.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.668 0.787 . . . . 0.0 109.176 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.7 tp 53.05 30.83 10.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.21 0.604 . . . . 0.0 111.66 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 C--O 1.251 1.154 0 CA-C-O 117.366 -1.302 . . . . 0.0 110.199 179.874 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.465 1 O4'-C1'-N19 111.808 5.01 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.199 1 P-O3'-C3' 124.93 4.358 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.412 ' C5 ' HG12 ' A' ' 77' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -2.684 0 O4'-C1'-N19 109.428 2.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.677 0 O4'-C4'-C3' 109.148 3.548 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C1'-N19 109.941 2.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.352 1 O4'-C1'-N19 111.701 4.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.407 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 120.395 0.14 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -155.38 165.7 35.81 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.161 0.585 . . . . 0.0 110.808 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -100.66 168.89 9.4 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.605 0.762 . . . . 0.0 110.471 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -130.5 161.75 30.77 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.186 0.594 . . . . 0.0 110.467 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mp -82.14 82.38 7.72 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.063 0.459 . . . . 0.0 109.825 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p -74.33 169.91 16.68 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.874 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -66.43 -15.16 63.11 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 121.968 -0.457 . . . . 0.0 111.361 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -77.95 -43.61 29.29 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.882 -0.511 . . . . 0.0 110.772 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -83.75 -24.46 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 122.272 0.229 . . . . 0.0 110.691 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.0 tp -78.9 -29.23 44.2 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.314 -0.241 . . . . 0.0 110.688 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 t -77.04 -37.97 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-O 119.557 -0.258 . . . . 0.0 110.866 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.94 -22.93 59.48 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.225 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -70.95 -31.55 68.16 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.8 t -73.27 -28.7 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -71.99 -15.21 62.05 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 117.895 0.316 . . . . 0.0 110.922 176.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -84.48 4.85 29.89 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.853 0.461 . . . . 0.0 111.163 173.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.52 8.13 64.35 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.647 -0.529 . . . . 0.0 113.104 176.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -79.93 109.06 14.01 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.264 1.032 . . . . 0.0 109.972 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -80.33 -26.37 38.77 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 122.238 -0.289 . . . . 0.0 110.63 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.627 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.3 mmpt? -71.84 -31.13 66.19 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 121.933 -0.479 . . . . 0.0 109.768 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -28.98 68.65 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -74.85 -31.03 61.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -64.33 -36.07 82.92 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.907 -0.496 . . . . 0.0 110.317 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.13 -25.28 59.67 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.3 tp -75.1 -30.05 60.79 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.0 t -71.52 -44.46 70.78 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.7 -23.75 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 O-C-N 122.19 -0.318 . . . . 0.0 110.49 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -73.66 -36.44 65.36 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.696 0.398 . . . . 0.0 111.855 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -114.6 -1.45 13.35 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -58.96 -30.68 68.08 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 119.263 0.938 . . . . 0.0 112.709 -174.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -87.12 -25.73 23.98 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 118.358 0.527 . . . . 0.0 111.023 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -82.69 -33.38 27.67 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.405 0.282 . . . . 0.0 110.508 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -80.85 -29.8 11.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.07 -27.65 65.82 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.7 m -78.29 -22.27 48.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.27 0.228 . . . . 0.0 110.595 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -81.5 -45.77 15.48 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 119.405 -0.331 . . . . 0.0 111.535 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 m -78.05 -21.32 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.066 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.136 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -62.28 -15.87 50.28 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 117.761 0.255 . . . . 0.0 110.641 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -79.04 -9.02 59.42 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.247 0.619 . . . . 0.0 111.035 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.451 ' CE2' HG23 ' A' ' 79' ' ' VAL . 61.4 m-85 -126.91 -19.69 4.38 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.1 m -133.24 153.63 80.75 Favored Pre-proline 0 N--CA 1.461 0.092 0 CA-C-N 118.386 0.539 . . . . 0.0 110.767 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.33 161.33 46.32 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 123.308 2.672 . . . . 0.0 109.899 177.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.0 p -59.3 -18.34 36.91 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.21 -14.94 81.82 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.611 -0.549 . . . . 0.0 112.556 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -118.89 -5.97 10.56 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.045 0.923 . . . . 0.0 111.866 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.445 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.4 t -57.36 -50.98 85.1 Favored Pre-proline 0 CA--C 1.53 0.181 0 CA-C-O 118.411 -0.804 . . . . 0.0 111.745 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.4 Cg_endo -66.72 -22.25 50.37 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 121.53 1.486 . . . . 0.0 111.693 -175.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -84.39 -31.89 24.46 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 117.97 0.35 . . . . 0.0 110.646 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.3 t -82.46 -28.3 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 C-N-CA 122.48 0.312 . . . . 0.0 110.404 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.6 t -73.01 -35.44 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -74.88 -20.4 59.75 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 110.518 -0.178 . . . . 0.0 110.518 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -85.09 -20.45 30.34 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.728 -0.607 . . . . 0.0 110.078 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.41 -35.25 25.19 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.184 -0.322 . . . . 0.0 111.48 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -80.42 -32.21 37.45 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 118.372 0.533 . . . . 0.0 111.169 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.55 -30.92 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 O-C-N 121.677 -0.639 . . . . 0.0 109.483 -178.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -72.28 -32.81 66.95 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.05 -33.27 61.71 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.509 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -62.12 -39.54 92.9 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 118.262 0.483 . . . . 0.0 111.234 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -92.54 -6.1 50.35 Favored 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.72 -8.18 16.16 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tt -73.26 -17.77 61.29 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 123.206 0.602 . . . . 0.0 110.953 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.2 -8.5 50.41 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 122.014 -0.429 . . . . 0.0 110.686 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.4 m -114.59 3.29 14.79 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.705 0.802 . . . . 0.0 111.468 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -69.07 119.96 14.18 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -99.97 -6.6 26.33 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -174.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.51 28.77 46.57 Favored Glycine 0 CA--C 1.526 0.729 0 CA-C-O 119.761 -0.466 . . . . 0.0 113.209 171.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -70.66 -6.97 40.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 117.867 0.833 . . . . 0.0 111.135 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.8 t -157.36 174.22 15.75 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.676 0.79 . . . . 0.0 109.18 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.69 154.62 14.21 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -63.23 -33.91 76.52 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -173.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -73.41 -22.23 60.29 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 120.094 -0.642 . . . . 0.0 111.235 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.423 HG23 ' H62' ' B' ' 7' ' ' ' DA' . 20.3 m -67.45 -35.28 78.91 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.705 -0.622 . . . . 0.0 109.328 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -82.55 -27.26 31.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.438 0.695 . . . . 0.0 111.083 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -75.11 -41.66 58.07 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -61.8 -37.63 85.09 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.7 tpt85 -66.12 -38.99 89.57 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.771 0.828 . . . . 0.0 110.772 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.9 mt -77.74 -36.85 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.44 -36.47 73.97 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -175.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.451 HG23 ' CE2' ' A' ' 40' ' ' TYR . 8.0 p -78.05 -27.41 14.83 Favored 'Isoleucine or valine' 0 C--N 1.338 0.075 0 CA-C-N 118.064 0.393 . . . . 0.0 110.313 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.42 HD21 ' N2 ' ' B' ' 2' ' ' ' DG' . 37.7 t-20 -82.17 -20.58 37.59 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 122.414 -0.179 . . . . 0.0 110.548 178.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.6 m -82.65 -40.71 20.35 Favored 'General case' 0 N--CA 1.456 -0.133 0 O-C-N 121.811 -0.555 . . . . 0.0 110.335 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.56 -30.09 64.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.779 0.263 . . . . 0.0 111.564 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -83.0 -30.23 28.32 Favored 'General case' 0 N--CA 1.457 -0.119 0 O-C-N 122.264 -0.273 . . . . 0.0 110.939 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -74.23 -21.88 59.59 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -72.45 -32.98 66.72 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.729 0.412 . . . . 0.0 110.717 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.88 -30.1 66.38 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 122.196 -0.315 . . . . 0.0 111.611 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.1 m -93.09 -15.82 7.89 Favored 'Isoleucine or valine' 0 C--N 1.339 0.142 0 CA-C-N 117.795 0.271 . . . . 0.0 111.613 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.94 -16.68 61.08 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.297 0.239 . . . . 0.0 110.393 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -107.41 -16.6 14.34 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.82 0.448 . . . . 0.0 111.487 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.93 -21.34 55.88 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 112.241 -0.344 . . . . 0.0 112.241 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -156.75 150.06 24.24 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.408 0.683 . . . . 0.0 110.187 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -155.5 139.57 16.45 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 93' ' ' LEU . 19.9 tp 50.2 36.83 13.31 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.081 0.552 . . . . 0.0 110.961 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -132.74 145.42 51.01 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.194 0.598 . . . . 0.0 110.01 -175.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.5 mt -124.53 13.28 8.74 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.442 0.697 . . . . 0.0 111.785 -173.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.142 -1.409 . . . . 0.0 111.055 179.516 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.795 1 O4'-C1'-N19 113.404 7.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.592 " H1'" ' C6 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.862 1 O4'-C1'-N19 112.58 5.976 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.592 ' C6 ' " H1'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.422 -2.22 1 O4'-C1'-N19 111.368 4.46 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.557 0 O4'-C4'-C3' 109.022 3.422 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.272 0 O4'-C1'-N19 110.124 2.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.484 1 O4'-C1'-N19 111.691 4.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.423 ' H62' HG23 ' A' ' 72' ' ' THR . . . . . . . . 0 C5'--C4' 1.532 2.647 1 O4'-C1'-N19 111.272 4.34 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.9 mmm . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -136.64 5.36 2.9 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -87.86 -3.1 58.96 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.983 -0.448 . . . . 0.0 111.509 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.421 ' C ' HD12 ' A' ' 5' ' ' LEU . 15.4 mm100 55.36 7.33 0.21 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 175.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.421 HD12 ' C ' ' A' ' 4' ' ' GLN . 6.0 mp -137.72 16.37 2.89 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.784 0.72 . . . . 0.0 110.942 177.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.8 p -72.4 179.55 3.4 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.149 0.499 . . . . 0.0 111.05 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -65.11 -17.66 64.65 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 122.071 -0.393 . . . . 0.0 111.108 176.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -68.53 -42.82 77.91 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.925 -0.485 . . . . 0.0 110.746 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 p -84.31 -25.62 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 122.546 0.338 . . . . 0.0 110.679 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.6 tp -79.73 -29.99 40.75 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 119.744 -0.17 . . . . 0.0 110.733 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.8 t -75.14 -39.43 43.36 Favored 'Isoleucine or valine' 0 C--N 1.337 0.062 0 CA-C-N 118.146 0.43 . . . . 0.0 110.381 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.82 -21.61 60.94 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.856 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -72.92 -30.87 64.23 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 117.857 0.299 . . . . 0.0 110.524 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -73.83 -28.44 24.23 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -71.74 -15.68 62.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.939 -0.476 . . . . 0.0 111.164 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -84.57 4.46 32.02 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.75 0.42 . . . . 0.0 111.037 172.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.54 9.14 63.32 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.609 -0.55 . . . . 0.0 113.152 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -80.56 110.9 16.47 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 118.301 1.05 . . . . 0.0 109.887 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -80.27 -28.95 38.29 Favored 'General case' 0 N--CA 1.457 -0.111 0 O-C-N 122.309 -0.245 . . . . 0.0 110.502 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.614 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.8 mmpt? -71.17 -30.26 66.21 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.85 -28.48 68.38 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -76.05 -29.84 58.19 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 122.226 -0.296 . . . . 0.0 110.339 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -65.01 -35.86 82.54 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 122.045 -0.41 . . . . 0.0 110.333 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.25 -30.35 64.78 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.4 tp -70.71 -31.39 68.23 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.58 -42.61 83.59 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -65.46 -24.2 34.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 O-C-N 122.445 -0.159 . . . . 0.0 110.876 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -75.83 -31.4 59.35 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -115.01 -2.93 12.69 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -175.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -59.46 -31.31 69.2 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.467 1.031 . . . . 0.0 112.922 -173.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -87.16 -26.25 23.67 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.187 0.449 . . . . 0.0 110.917 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -81.69 -34.98 30.35 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.434 0.294 . . . . 0.0 110.451 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -79.14 -28.99 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.67 -26.55 65.37 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 m -79.29 -22.16 45.02 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.387 0.275 . . . . 0.0 110.326 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.7 tp -83.1 -44.63 14.92 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.533 0.333 . . . . 0.0 111.814 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.8 m -78.55 -20.15 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 119.939 -0.705 . . . . 0.0 111.433 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 t -61.29 -16.14 42.56 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.041 0.448 . . . . 0.0 110.844 175.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -79.38 -10.92 59.91 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.962 0.505 . . . . 0.0 111.519 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -126.94 -17.47 4.88 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -176.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.6 m -133.72 154.11 80.41 Favored Pre-proline 0 C--O 1.232 0.142 0 CA-C-N 118.379 0.536 . . . . 0.0 110.575 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.85 161.61 45.28 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.36 2.706 . . . . 0.0 109.666 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -59.29 -20.13 51.84 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 122.906 0.482 . . . . 0.0 112.288 -174.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.88 -15.04 81.12 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 119.389 -0.673 . . . . 0.0 112.696 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -118.58 -5.67 10.72 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.049 0.924 . . . . 0.0 112.057 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.433 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 53.2 t -56.59 -51.87 77.85 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.955 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.9 Cg_endo -66.94 -22.75 47.97 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 121.677 1.585 . . . . 0.0 112.05 -174.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.44 -32.84 23.85 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 118.046 0.384 . . . . 0.0 110.77 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.8 t -81.02 -29.26 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 122.492 0.317 . . . . 0.0 110.318 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 37.9 t -71.02 -39.16 74.5 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -72.41 -26.1 61.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.522 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -78.98 -23.67 44.33 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.66 -29.02 45.49 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.263 0.225 . . . . 0.0 111.168 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -83.02 -34.91 26.18 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 117.951 0.341 . . . . 0.0 110.982 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.08 -27.74 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 118.565 0.62 . . . . 0.0 109.97 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -74.83 -32.71 62.01 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.17 -34.44 63.8 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -61.41 -37.99 85.46 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 122.081 -0.387 . . . . 0.0 111.63 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -89.8 -9.39 49.38 Favored 'General case' 0 C--N 1.335 -0.059 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.57 -6.64 14.83 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.8 tt -74.16 -19.13 60.66 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 123.149 0.58 . . . . 0.0 111.115 -177.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -71.18 -7.43 46.66 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 122.216 -0.303 . . . . 0.0 110.682 176.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -114.89 8.47 15.95 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.925 0.89 . . . . 0.0 111.017 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -66.07 131.39 46.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -99.44 -19.88 16.73 Favored 'General case' 0 N--CA 1.46 0.048 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -175.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.5 21.27 75.47 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -69.0 -7.58 36.78 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 117.435 0.618 . . . . 0.0 111.007 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.2 t -156.49 171.85 19.56 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.308 1.043 . . . . 0.0 109.061 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.16 154.23 16.48 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -63.37 -35.1 79.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.872 -0.518 . . . . 0.0 112.041 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -73.26 -21.76 60.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.553 0.615 . . . . 0.0 111.282 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.403 HG23 ' H62' ' B' ' 7' ' ' ' DA' . 34.6 m -72.46 -31.07 65.14 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.921 -0.487 . . . . 0.0 109.768 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -82.07 -30.14 31.48 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.905 0.482 . . . . 0.0 110.217 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 tt -73.47 -39.83 64.6 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -63.14 -38.54 91.59 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.53 0.732 . . . . 0.0 109.716 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -68.23 -37.09 80.46 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.807 0.843 . . . . 0.0 110.66 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.1 mt -77.06 -35.62 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.24 76.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.228 0.467 . . . . 0.0 111.842 -175.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.6 p -73.92 -32.86 35.06 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 CA-C-N 118.136 0.426 . . . . 0.0 110.137 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -81.52 -16.78 50.72 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 119.569 -0.253 . . . . 0.0 111.371 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.7 m -84.99 -38.89 18.71 Favored 'General case' 0 N--CA 1.458 -0.048 0 CA-C-N 118.392 0.542 . . . . 0.0 109.902 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.42 -28.97 62.28 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 122.334 -0.229 . . . . 0.0 111.163 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -83.07 -30.76 27.74 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.987 0.358 . . . . 0.0 110.762 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -72.24 -22.45 61.24 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -73.9 -31.48 63.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.88 -0.513 . . . . 0.0 110.466 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.06 -22.99 63.99 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.986 -0.446 . . . . 0.0 111.785 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m -101.67 -14.73 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.105 0 CA-C-N 117.922 0.328 . . . . 0.0 111.759 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.09 -25.54 55.58 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 118.306 0.503 . . . . 0.0 112.25 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -118.96 -13.31 9.45 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 117.695 0.225 . . . . 0.0 110.619 173.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.74 -12.65 83.33 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -103.04 9.18 38.7 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 117.434 0.617 . . . . 0.0 111.487 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -132.54 8.99 4.27 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.742 0.817 . . . . 0.0 111.105 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.07 36.56 1.25 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.241 0.616 . . . . 0.0 110.18 -178.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -133.16 164.02 27.98 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.044 0.538 . . . . 0.0 110.658 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.4 tp 54.06 29.76 10.81 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.702 0.801 . . . . 0.0 111.557 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--O 1.251 1.147 0 CA-C-O 117.253 -1.356 . . . . 0.0 110.418 -179.549 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 1 O4'-C1'-N19 112.022 5.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.816 0 O4'-C1'-N19 110.508 3.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.304 1 O4'-C1'-N19 111.731 4.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.55 0 O4'-C4'-C3' 109.029 3.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 0 O4'-C1'-N19 109.792 2.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.718 1 O4'-C1'-N19 111.308 4.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.403 ' H62' HG23 ' A' ' 72' ' ' THR . . . . . . . . 0 O4'--C4' 1.418 -2.559 1 P-O3'-C3' 125.579 4.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.3 tpp . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -147.4 162.92 38.03 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.131 0.572 . . . . 0.0 110.404 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -150.98 169.24 22.25 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.819 0.448 . . . . 0.0 110.988 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 57.89 171.51 0.05 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.677 1.591 . . . . 0.0 113.557 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mp -130.47 24.41 5.13 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.026 0.93 . . . . 0.0 109.98 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.5 p -67.53 177.8 1.84 Allowed 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.495 0.718 . . . . 0.0 111.287 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.47 -15.39 37.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.732 0.413 . . . . 0.0 112.11 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -68.65 -47.57 66.24 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.211 0.46 . . . . 0.0 110.879 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.1 p -83.48 -25.1 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 O-C-N 122.443 -0.16 . . . . 0.0 110.587 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.0 tp -72.68 -28.45 62.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.0 t -78.02 -30.75 16.29 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.38 -30.25 68.2 Favored 'General case' 0 C--N 1.339 0.116 0 O-C-N 121.724 -0.61 . . . . 0.0 110.275 174.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -76.66 -30.75 56.93 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 111.655 0.242 . . . . 0.0 111.655 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.8 t -75.85 -35.78 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.057 0 O-C-N 121.993 -0.442 . . . . 0.0 111.28 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -75.19 -15.29 60.57 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.493 0.588 . . . . 0.0 111.123 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -77.5 1.62 18.78 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.668 0.387 . . . . 0.0 111.408 170.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.67 5.45 53.85 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.347 -0.696 . . . . 0.0 113.785 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -81.7 110.89 17.46 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.666 1.233 . . . . 0.0 110.03 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.9 tm0? -80.58 -26.82 37.67 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 122.373 -0.204 . . . . 0.0 110.936 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.612 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.0 mmpt? -73.71 -31.11 63.23 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 122.006 -0.434 . . . . 0.0 109.956 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.66 -27.01 67.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -75.97 -31.85 59.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -62.93 -35.62 80.71 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 121.915 -0.49 . . . . 0.0 110.205 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.09 -31.26 65.91 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.8 tp -71.45 -31.34 67.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.2 t -70.14 -41.17 78.94 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.4 t -66.12 -24.42 33.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 118.012 0.369 . . . . 0.0 110.613 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -74.67 -32.48 62.23 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 117.936 0.335 . . . . 0.0 111.59 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -115.38 -3.64 12.42 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -58.51 -32.92 69.27 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.602 1.092 . . . . 0.0 112.893 -173.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -87.18 -24.94 24.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.49 0.586 . . . . 0.0 111.101 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -81.5 -35.45 30.4 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.542 0.337 . . . . 0.0 110.217 -177.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.3 p -79.09 -30.56 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.29 -29.26 68.0 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.165 -0.334 . . . . 0.0 110.367 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.1 m -78.71 -22.37 46.75 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.287 -0.258 . . . . 0.0 110.76 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.7 tp -81.71 -44.66 16.78 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.253 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.1 m -76.76 -21.32 14.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.728 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -62.1 -16.01 49.35 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.349 0.26 . . . . 0.0 110.834 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -82.73 -6.57 59.47 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 122.154 -0.341 . . . . 0.0 111.551 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -126.91 -14.76 5.53 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.3 m -136.01 154.99 77.97 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 118.838 0.745 . . . . 0.0 111.301 176.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -59.27 157.06 32.04 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.486 2.791 . . . . 0.0 111.015 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.0 p -63.24 -18.29 63.38 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.52 -11.94 84.77 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-O 119.398 -0.668 . . . . 0.0 112.038 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -117.3 -5.76 11.3 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.109 0.954 . . . . 0.0 111.886 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.436 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 49.5 t -57.78 -51.53 81.08 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.932 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 59.5 Cg_endo -66.11 -23.38 53.27 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 121.396 1.397 . . . . 0.0 112.313 -174.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -83.32 -31.99 26.55 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.235 0.47 . . . . 0.0 110.513 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.0 t -81.99 -27.08 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 122.44 0.296 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.95 -36.42 51.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.89 -21.68 60.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 117.78 0.264 . . . . 0.0 110.731 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -84.79 -21.39 29.95 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.758 -0.589 . . . . 0.0 110.32 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.04 -35.04 29.18 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.316 0.246 . . . . 0.0 111.277 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -80.02 -33.53 39.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 118.089 0.404 . . . . 0.0 110.999 177.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.71 -29.47 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 O-C-N 121.932 -0.48 . . . . 0.0 109.855 -178.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -75.02 -32.03 61.51 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.5 -36.72 68.44 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 176.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -62.14 -36.45 81.84 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.038 0.381 . . . . 0.0 111.606 -177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -89.75 -8.11 52.97 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.96 -3.25 13.39 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -75.13 -21.27 58.95 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.279 0.632 . . . . 0.0 111.363 -177.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -70.74 -10.49 59.57 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 122.145 -0.347 . . . . 0.0 110.124 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.7 m -110.19 12.0 23.49 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.004 0.921 . . . . 0.0 111.065 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -66.6 135.05 53.55 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -99.56 -18.21 17.48 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 122.728 0.411 . . . . 0.0 111.856 -174.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.29 19.08 79.89 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -69.01 -9.57 53.13 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.043 0.537 . . . . 0.0 111.144 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.1 t -157.94 173.71 16.35 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.663 0.785 . . . . 0.0 109.314 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.03 155.12 11.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -64.34 -31.82 73.18 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -172.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -75.65 -22.23 56.95 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.645 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.426 HG23 ' H62' ' B' ' 7' ' ' ' DA' . 15.9 m -66.65 -33.97 76.84 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -81.69 -34.74 30.48 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.705 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.5 -34.99 72.96 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -63.56 -41.46 98.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.103 0.561 . . . . 0.0 110.289 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -68.36 -36.83 79.79 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 117.741 0.246 . . . . 0.0 110.579 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.7 mt -71.54 -36.18 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.48 -39.58 77.58 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 117.946 0.339 . . . . 0.0 111.868 -175.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.62 -33.26 31.5 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.096 0 CA-C-N 118.412 0.551 . . . . 0.0 110.372 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -80.22 -16.91 53.72 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.458 -0.151 . . . . 0.0 111.056 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.3 m -82.94 -40.28 20.31 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 174.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.55 -30.47 61.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 122.216 -0.303 . . . . 0.0 110.953 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -80.63 -32.42 36.28 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.096 -0.377 . . . . 0.0 110.947 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -76.24 -17.08 59.66 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.24 -0.288 . . . . 0.0 110.26 177.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -75.03 -32.05 61.49 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.371 0.268 . . . . 0.0 110.7 175.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.81 -33.81 68.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.205 -0.31 . . . . 0.0 111.383 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 p -86.63 -22.85 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.068 0 CA-C-N 117.556 0.162 . . . . 0.0 110.864 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.11 -19.69 62.42 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 122.329 -0.232 . . . . 0.0 110.877 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -106.5 -21.98 12.91 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 122.783 0.433 . . . . 0.0 111.124 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.22 -12.48 80.69 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-O 119.667 -0.518 . . . . 0.0 112.544 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -111.91 2.6 17.06 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 117.86 0.83 . . . . 0.0 111.291 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -69.54 -12.91 62.03 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.353 0.661 . . . . 0.0 111.826 -176.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 26.8 tp -117.79 2.59 12.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.655 0.782 . . . . 0.0 110.867 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -114.46 4.41 15.26 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.188 0.595 . . . . 0.0 111.236 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.3 mt -126.18 14.39 7.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.71 0.804 . . . . 0.0 110.883 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.8 p . . . . . 0 C--O 1.25 1.113 0 CA-C-O 117.33 -1.319 . . . . 0.0 110.258 -178.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.942 1 O4'-C1'-N19 112.49 5.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.474 1 O4'-C1'-N19 111.908 5.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.459 1 P-O3'-C3' 125.097 4.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.605 0 O4'-C4'-C3' 109.133 3.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.256 0 O4'-C1'-N19 109.937 2.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.47 1 O4'-C1'-N19 111.585 4.731 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.426 ' H62' HG23 ' A' ' 72' ' ' THR . . . . . . . . 0 C5'--C4' 1.532 2.646 1 O4'-C1'-N19 111.265 4.331 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 110.621 -0.141 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.4 p -149.23 169.09 21.55 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 122.824 0.449 . . . . 0.0 110.785 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -101.52 16.12 26.7 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.568 0.747 . . . . 0.0 111.305 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 59.53 170.23 0.07 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.162 1.385 . . . . 0.0 113.038 -176.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.8 mp -91.94 63.82 4.57 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.959 0.503 . . . . 0.0 110.36 -176.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.4 p -73.53 -179.76 3.67 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.361 0.664 . . . . 0.0 110.613 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -61.21 -14.86 28.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 121.789 -0.569 . . . . 0.0 111.65 178.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -69.8 -44.68 69.54 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 118.291 0.496 . . . . 0.0 110.901 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 m -83.83 -23.65 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.467 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.8 tp -74.28 -30.08 61.94 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.4 t -76.16 -35.47 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.087 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -72.46 -25.23 61.36 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.159 -0.338 . . . . 0.0 110.388 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -75.27 -29.99 60.32 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.658 0.383 . . . . 0.0 110.626 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.03 -28.52 21.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 175.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -72.59 -15.87 61.74 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.223 -0.298 . . . . 0.0 110.529 176.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -83.63 4.0 30.36 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.778 0.431 . . . . 0.0 111.096 172.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.21 7.16 64.13 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 119.453 -0.637 . . . . 0.0 113.063 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -79.42 108.83 13.23 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 118.088 0.944 . . . . 0.0 110.153 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -80.18 -27.51 38.9 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.637 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -71.29 -30.77 66.65 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -28.58 68.37 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -74.22 -30.21 62.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.255 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -64.89 -36.57 84.78 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.181 -0.324 . . . . 0.0 110.29 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.22 -25.08 60.6 Favored 'General case' 0 C--O 1.232 0.157 0 O-C-N 122.09 -0.381 . . . . 0.0 110.466 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.1 tp -75.72 -28.45 58.56 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -73.29 -44.36 55.31 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.119 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.0 t -64.71 -23.8 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-N 117.795 0.27 . . . . 0.0 110.63 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -73.15 -37.71 66.5 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.102 0.561 . . . . 0.0 111.657 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -114.43 -0.82 13.65 Favored 'General case' 0 CA--C 1.527 0.08 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -175.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -58.82 -33.77 70.77 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.551 1.069 . . . . 0.0 112.788 -174.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -86.18 -24.24 26.21 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.46 0.573 . . . . 0.0 111.08 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -83.72 -34.17 24.95 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.211 0.205 . . . . 0.0 110.628 -177.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.89 -29.25 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.01 76.7 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 122.23 -0.293 . . . . 0.0 110.555 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.2 m -72.95 -22.08 60.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 117.545 0.157 . . . . 0.0 110.92 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.9 tp -81.26 -42.84 20.07 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 119.384 -0.341 . . . . 0.0 111.566 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.3 m -81.47 -18.65 11.47 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 CA-C-N 118.822 0.737 . . . . 0.0 111.552 -177.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -60.73 -15.85 33.62 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 118.026 0.375 . . . . 0.0 110.746 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -80.23 -11.14 59.76 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 123.03 0.532 . . . . 0.0 111.318 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -126.94 -15.73 5.29 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -174.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.75 155.24 79.58 Favored Pre-proline 0 C--O 1.231 0.1 0 CA-C-N 119.095 0.862 . . . . 0.0 111.439 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.91 156.54 38.04 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 123.473 2.782 . . . . 0.0 110.967 174.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.1 t -59.94 -20.98 60.48 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.393 0.277 . . . . 0.0 111.714 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.42 -12.94 84.07 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 119.403 -0.665 . . . . 0.0 112.418 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -117.86 -3.89 11.16 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.145 0.972 . . . . 0.0 112.106 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.427 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 63.4 t -58.35 -52.06 77.34 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.444 178.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 63.8 Cg_endo -67.77 -22.39 43.34 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 121.569 1.513 . . . . 0.0 111.929 -175.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -83.17 -33.11 26.27 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 117.956 0.344 . . . . 0.0 110.726 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.8 t -82.08 -29.14 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 122.66 0.384 . . . . 0.0 110.617 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 t -69.56 -38.05 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -72.34 -30.31 64.62 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.173 -178.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -75.54 -21.74 57.66 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 122.077 -0.389 . . . . 0.0 110.25 176.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.8 -29.79 35.98 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 119.493 -0.289 . . . . 0.0 111.39 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -83.56 -35.27 24.89 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 118.244 0.474 . . . . 0.0 111.135 177.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.51 -29.53 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 118.639 0.654 . . . . 0.0 109.739 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -74.5 -37.19 63.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.598 174.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.6 -32.68 74.44 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -64.89 -38.4 90.86 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 121.935 -0.478 . . . . 0.0 111.175 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -91.79 -5.39 53.58 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.89 -12.38 14.58 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 117.986 0.357 . . . . 0.0 111.378 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 tt -74.97 -19.7 59.98 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.593 0.757 . . . . 0.0 111.155 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -71.78 -8.09 52.14 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.8 t -114.88 2.74 14.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.864 0.865 . . . . 0.0 110.748 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -65.57 130.69 44.18 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 83.1 mtm-85 -99.63 -15.71 18.48 Favored 'General case' 0 C--N 1.338 0.072 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -174.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.2 22.08 71.82 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -69.27 -8.09 42.83 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.596 0.759 . . . . 0.0 111.168 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.8 t -156.79 173.4 17.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.112 0.965 . . . . 0.0 109.21 176.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.92 153.29 17.66 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.25 -34.85 78.56 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.862 -0.524 . . . . 0.0 111.893 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -73.52 -23.31 59.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.488 0.585 . . . . 0.0 111.417 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.2 m -66.84 -35.27 79.67 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -82.0 -32.79 30.4 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.371 0.669 . . . . 0.0 110.934 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.73 -38.83 73.59 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -61.84 -38.56 88.68 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.029 0.532 . . . . 0.0 109.635 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -69.84 -32.87 71.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 119.596 -0.24 . . . . 0.0 111.381 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.548 HG12 ' C5 ' ' B' ' 3' ' ' ' DT' . 64.7 mt -77.27 -36.93 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 CA-C-N 118.138 0.427 . . . . 0.0 110.168 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.65 -36.08 70.57 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 117.994 0.361 . . . . 0.0 111.775 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.0 p -76.07 -34.13 26.1 Favored 'Isoleucine or valine' 0 C--N 1.338 0.07 0 CA-C-N 118.133 0.424 . . . . 0.0 110.602 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.42 -17.13 43.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.2 m -87.14 -38.27 16.59 Favored 'General case' 0 C--N 1.335 -0.051 0 CA-C-N 118.571 0.623 . . . . 0.0 110.085 175.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.17 -28.44 64.25 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 122.054 -0.404 . . . . 0.0 111.024 177.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -83.64 -31.05 26.41 Favored 'General case' 0 C--O 1.232 0.184 0 O-C-N 122.097 -0.377 . . . . 0.0 110.923 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -72.37 -21.19 61.33 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 176.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -72.84 -33.65 66.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.069 -0.394 . . . . 0.0 110.654 176.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.79 -29.58 66.92 Favored 'General case' 0 N--CA 1.456 -0.138 0 O-C-N 122.185 -0.322 . . . . 0.0 111.83 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m -91.0 -15.07 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.067 0 CA-C-N 118.085 0.402 . . . . 0.0 111.27 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.14 -17.31 60.44 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.006 0.123 . . . . 0.0 111.056 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -118.52 -19.62 8.72 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.504 0.322 . . . . 0.0 110.898 176.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -83.74 -11.48 79.45 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.936 -0.466 . . . . 0.0 111.936 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -140.39 159.87 41.24 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.598 0.759 . . . . 0.0 110.002 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 55.45 10.88 0.52 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.098 1.359 . . . . 0.0 112.829 -177.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.8 tp -149.83 -0.22 0.46 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.775 1.23 . . . . 0.0 109.374 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -148.5 153.62 38.7 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.111 0.964 . . . . 0.0 109.348 -175.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.3 tp -136.52 -6.47 1.98 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.104 0.562 . . . . 0.0 111.334 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 C--O 1.252 1.198 0 CA-C-O 117.522 -1.227 . . . . 0.0 110.068 -178.952 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.801 1 O4'-C1'-N19 111.46 4.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.611 " H1'" ' C6 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.421 -2.291 1 O4'-C1'-N19 112.914 6.393 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.611 ' C6 ' " H1'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.419 -2.468 0 O4'-C1'-N19 110.67 3.588 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.307 0 O4'-C4'-C3' 109.466 3.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.6 0 O4'-C1'-N19 109.839 2.549 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.388 1 O4'-C1'-N19 111.913 5.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.7 1 O4'-C1'-N19 111.026 4.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -148.89 157.75 43.66 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.247 0.619 . . . . 0.0 109.735 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -151.34 164.08 37.47 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.801 0.441 . . . . 0.0 110.847 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -139.62 155.58 47.35 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.405 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.7 mp -88.57 45.05 1.25 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.43 0.692 . . . . 0.0 111.036 -176.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.3 p -68.63 172.42 6.29 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.053 0.454 . . . . 0.0 110.687 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -65.66 -16.74 64.03 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 122.035 -0.415 . . . . 0.0 111.36 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -72.33 -42.92 64.84 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.906 -0.496 . . . . 0.0 111.003 -177.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.0 p -83.36 -24.4 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.7 tp -80.3 -30.43 38.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 122.343 -0.223 . . . . 0.0 110.465 -177.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.51 -39.18 40.32 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.056 0 O-C-N 122.214 -0.303 . . . . 0.0 110.805 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.9 -23.96 60.78 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.807 0.73 . . . . 0.0 110.598 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -72.95 -29.65 63.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 122.083 -0.386 . . . . 0.0 110.323 177.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.37 -26.02 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 O-C-N 122.128 -0.358 . . . . 0.0 110.18 174.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -71.13 -15.86 62.52 Favored 'General case' 0 C--N 1.34 0.173 0 O-C-N 121.98 -0.45 . . . . 0.0 110.332 175.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -82.79 3.59 28.8 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.665 0.386 . . . . 0.0 111.09 171.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.01 11.31 73.48 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.921 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -78.6 117.1 19.45 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 118.159 0.98 . . . . 0.0 110.628 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -80.0 -21.77 43.24 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.657 0.383 . . . . 0.0 111.986 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -76.17 -29.86 57.88 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.97 -30.74 65.58 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.328 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -80.62 -35.78 33.58 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.596 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -61.46 -34.63 75.78 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 122.001 -0.437 . . . . 0.0 110.384 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mp -76.86 -28.25 55.37 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.377 0.271 . . . . 0.0 110.528 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.6 tp -73.73 -28.61 61.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.576 0.35 . . . . 0.0 110.114 175.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -72.68 -46.07 55.41 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.24 -23.69 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 117.884 0.311 . . . . 0.0 110.437 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -73.7 -36.36 65.25 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.565 0.346 . . . . 0.0 111.654 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -115.03 0.26 13.6 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -175.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -60.98 -30.34 70.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 119.536 1.062 . . . . 0.0 113.135 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -82.93 -29.44 29.14 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.534 0.607 . . . . 0.0 110.445 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.666 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 8.2 tmtt? -72.25 -46.14 57.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.42 0.688 . . . . 0.0 110.943 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.38 -31.36 38.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.167 -177.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.73 -27.46 65.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 117.885 0.312 . . . . 0.0 110.389 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.7 m -80.46 -22.21 41.3 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.564 0.346 . . . . 0.0 110.356 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.0 tp -85.26 -42.22 14.85 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.832 0.453 . . . . 0.0 111.33 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 m -79.04 -21.29 12.69 Favored 'Isoleucine or valine' 0 C--N 1.338 0.094 0 CA-C-N 118.653 0.66 . . . . 0.0 110.543 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -60.84 -15.88 35.16 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 122.223 -0.298 . . . . 0.0 110.771 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -80.0 -10.94 59.81 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 122.807 0.443 . . . . 0.0 111.501 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -127.07 -14.34 5.52 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -176.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -137.77 153.6 74.05 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-N 118.388 0.54 . . . . 0.0 110.657 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.81 161.97 43.88 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.648 2.899 . . . . 0.0 110.157 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.2 p -60.14 -18.02 44.63 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 123.183 0.593 . . . . 0.0 112.551 -175.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.02 -15.85 81.1 Favored Glycine 0 CA--C 1.528 0.866 0 CA-C-O 119.575 -0.569 . . . . 0.0 112.508 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -118.73 -5.91 10.64 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 117.911 0.855 . . . . 0.0 111.982 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.446 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 53.8 t -56.99 -50.71 86.65 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.792 179.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.4 Cg_endo -67.44 -22.02 45.91 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 121.566 1.511 . . . . 0.0 111.876 -175.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.59 -33.79 23.29 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 122.113 -0.367 . . . . 0.0 110.624 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 78.6 t -80.13 -30.48 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.692 0.397 . . . . 0.0 110.162 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.6 t -70.3 -37.04 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -71.56 -28.41 63.83 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 121.126 -0.229 . . . . 0.0 110.748 -177.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -80.4 -27.73 38.02 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 117.878 0.308 . . . . 0.0 110.409 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.67 -32.3 72.03 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.054 -0.404 . . . . 0.0 111.046 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -84.56 -34.93 23.13 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 117.964 0.347 . . . . 0.0 111.351 176.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -74.36 -28.81 23.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 O-C-N 121.593 -0.692 . . . . 0.0 110.184 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -73.45 -34.21 65.28 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.47 -32.89 64.57 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 176.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -62.34 -40.61 96.93 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 118.395 0.543 . . . . 0.0 111.557 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -90.27 -7.08 54.34 Favored 'General case' 0 C--O 1.23 0.076 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.93 -7.51 18.13 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 175.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 tt -75.61 -18.88 59.57 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.446 0.698 . . . . 0.0 110.46 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.77 -8.47 56.13 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.481 0.313 . . . . 0.0 110.308 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.1 m -114.92 8.07 15.81 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.085 0.954 . . . . 0.0 111.168 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -68.4 130.54 43.2 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.1 mtm-85 -99.29 -16.11 18.6 Favored 'General case' 0 C--O 1.231 0.091 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -175.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.64 21.68 74.21 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -65.77 -10.37 36.72 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.995 0.518 . . . . 0.0 110.743 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.0 t -156.32 174.86 14.79 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.605 1.162 . . . . 0.0 108.528 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.97 154.54 18.68 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -62.87 -32.49 73.74 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.104 -0.373 . . . . 0.0 111.746 -175.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.666 ' CZ ' ' HE3' ' A' ' 32' ' ' LYS . 62.3 t80 -68.81 -28.99 67.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 122.104 -0.372 . . . . 0.0 110.903 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.2 m -67.45 -34.87 78.07 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -82.64 -31.79 28.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.442 0.697 . . . . 0.0 111.276 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -38.98 72.3 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -66.57 -39.61 88.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.9 tpp85 -69.22 -31.8 70.62 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 123.172 0.589 . . . . 0.0 111.475 -176.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.8 mt -76.53 -36.09 27.42 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.114 0 CA-C-N 117.983 0.356 . . . . 0.0 110.091 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.81 -39.64 83.96 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.123 0.42 . . . . 0.0 111.844 -175.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.3 p -73.98 -32.81 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 117.855 0.298 . . . . 0.0 110.452 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -83.04 -17.55 42.89 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 119.382 -0.342 . . . . 0.0 111.74 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.4 m -82.0 -38.87 24.42 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 118.819 0.736 . . . . 0.0 109.794 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.9 -28.31 62.4 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 122.359 -0.213 . . . . 0.0 110.844 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -83.01 -31.35 27.51 Favored 'General case' 0 C--O 1.231 0.09 0 O-C-N 122.197 -0.314 . . . . 0.0 110.867 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -74.53 -19.48 60.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -73.55 -33.48 64.72 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.102 -0.374 . . . . 0.0 110.769 175.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.5 mt -71.29 -26.85 63.04 Favored 'General case' 0 CA--C 1.528 0.121 0 O-C-N 122.063 -0.398 . . . . 0.0 111.595 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.5 m -92.35 -15.2 8.23 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.112 0 CA-C-N 118.189 0.45 . . . . 0.0 111.24 176.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.87 -20.11 63.41 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -110.8 -19.05 12.97 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.953 0.501 . . . . 0.0 110.824 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.69 -8.86 86.33 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 112.106 -0.397 . . . . 0.0 112.106 177.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -118.67 12.82 13.19 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.779 0.832 . . . . 0.0 111.076 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -61.48 124.0 19.42 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -177.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 87.0 mt 54.79 19.5 2.59 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.588 1.155 . . . . 0.0 113.703 -177.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -88.69 -9.63 51.32 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-N 118.375 0.534 . . . . 0.0 111.055 176.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 tp 54.72 25.31 6.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.374 1.07 . . . . 0.0 113.057 178.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.25 1.086 0 CA-C-O 117.251 -1.357 . . . . 0.0 110.935 178.161 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.434 " H3'" H5'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.901 1 O4'-C1'-N19 113.338 6.923 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.434 H5'' " H3'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.328 1 O4'-C1'-N19 111.162 4.203 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.446 0 O4'-C1'-N19 110.361 3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.516 0 O4'-C4'-C3' 109.214 3.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.911 0 O4'-C1'-N19 109.937 2.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.524 1 O4'-C1'-N19 112.273 5.592 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.599 0 O4'-C1'-N19 110.888 3.859 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 m 59.25 163.02 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.711 1.205 . . . . 0.0 112.969 -175.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 45.43 23.23 0.12 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.286 1.435 . . . . 0.0 113.825 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -143.36 162.79 34.8 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.746 0.818 . . . . 0.0 109.9 -177.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mp -115.27 25.76 10.61 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.618 0.767 . . . . 0.0 110.321 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.9 p -66.49 177.47 1.53 Allowed 'General case' 0 C--O 1.231 0.101 0 C-N-CA 123.352 0.661 . . . . 0.0 111.261 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.6 -16.88 58.74 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.884 0.474 . . . . 0.0 111.979 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -66.42 -45.41 80.0 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 121.747 -0.596 . . . . 0.0 110.737 -177.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 p -84.01 -25.54 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 CA-C-N 116.92 -0.127 . . . . 0.0 110.878 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.0 tp -78.55 -29.57 46.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.463 -0.148 . . . . 0.0 110.851 -178.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.2 t -75.0 -40.2 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 O-C-N 122.107 -0.37 . . . . 0.0 110.379 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.74 -21.52 61.01 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.788 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -71.89 -31.76 66.74 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 117.835 0.289 . . . . 0.0 110.327 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -73.61 -28.01 24.15 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.027 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 175.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -71.7 -15.36 62.2 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 121.986 -0.446 . . . . 0.0 110.834 176.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -85.64 3.77 39.38 Favored 'General case' 0 C--N 1.339 0.121 0 C-N-CA 122.926 0.49 . . . . 0.0 111.127 173.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.87 7.96 62.3 Favored Glycine 0 C--N 1.339 0.746 0 C-N-CA 123.538 0.59 . . . . 0.0 112.859 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -79.66 110.03 14.62 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.328 1.064 . . . . 0.0 109.927 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -80.12 -27.89 39.07 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 122.448 -0.157 . . . . 0.0 110.683 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.638 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -71.5 -31.2 66.82 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.44 -28.63 68.75 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.63 -30.71 61.74 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -65.14 -34.59 78.76 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 121.989 -0.445 . . . . 0.0 110.37 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.51 -26.03 57.75 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.26 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.5 tp -76.36 -31.03 57.84 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.2 t -68.2 -48.66 72.8 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.09 -23.89 29.44 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 CA-C-N 117.825 0.284 . . . . 0.0 110.619 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -69.66 -30.94 68.74 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.39 0.276 . . . . 0.0 111.025 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -114.48 -0.32 13.77 Favored 'General case' 0 C--O 1.227 -0.115 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -58.35 -39.71 80.24 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.608 0.64 . . . . 0.0 112.147 -173.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -83.1 -23.15 33.18 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 122.028 -0.42 . . . . 0.0 110.888 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -84.97 -32.62 22.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.46 0.171 . . . . 0.0 110.873 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.0 p -80.43 -28.33 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.77 -27.31 64.82 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.4 m -78.3 -21.44 49.69 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.886 0.474 . . . . 0.0 110.904 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -84.28 -44.46 13.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 119.35 -0.357 . . . . 0.0 111.781 177.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 m -79.01 -22.17 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-N 118.824 0.738 . . . . 0.0 111.697 -176.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.2 p -62.13 -15.44 45.75 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.043 0.383 . . . . 0.0 111.111 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -78.7 -9.42 59.41 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.471 0.708 . . . . 0.0 111.277 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.445 ' CE2' HG23 ' A' ' 79' ' ' VAL . 52.2 m-85 -126.94 -16.64 5.08 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -177.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.7 m -135.11 153.11 78.14 Favored Pre-proline 0 C--N 1.34 0.163 0 CA-C-N 118.295 0.498 . . . . 0.0 110.425 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -70.26 161.43 46.01 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.294 2.663 . . . . 0.0 109.698 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.6 m -59.28 -16.05 19.34 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.316 0.646 . . . . 0.0 112.695 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.55 -14.98 81.54 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.516 -0.602 . . . . 0.0 112.464 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -118.69 -6.48 10.63 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 117.865 0.833 . . . . 0.0 112.098 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.433 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 57.4 t -56.09 -51.02 83.97 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-O 118.283 -0.865 . . . . 0.0 112.162 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 65.3 Cg_endo -67.8 -21.81 44.01 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.586 1.524 . . . . 0.0 112.13 -174.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -85.76 -30.93 22.67 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.1 0.409 . . . . 0.0 110.674 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.4 t -81.76 -29.97 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.4 t -70.94 -38.24 71.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -72.79 -27.58 62.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.252 -177.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -78.31 -23.04 47.27 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 122.05 -0.406 . . . . 0.0 110.384 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.32 -28.08 42.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 119.478 -0.296 . . . . 0.0 111.488 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -84.37 -33.39 23.82 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 118.133 0.424 . . . . 0.0 110.979 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.45 -27.55 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 CA-C-N 118.762 0.71 . . . . 0.0 109.714 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -72.98 -34.98 66.79 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 173.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.54 -38.01 74.12 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -61.76 -38.85 89.54 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.029 0.377 . . . . 0.0 111.692 -177.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -87.9 -5.19 58.7 Favored 'General case' 0 C--N 1.339 0.12 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -177.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.62 -4.36 10.78 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 tt -74.17 -19.75 60.45 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.672 -0.642 . . . . 0.0 111.174 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -74.65 -5.41 42.92 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.16 -0.337 . . . . 0.0 110.814 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.2 m -114.66 6.19 15.61 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.159 0.984 . . . . 0.0 110.951 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -66.92 130.31 42.73 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -99.55 -17.15 18.0 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.67 22.65 69.1 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -66.44 -10.58 45.49 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.28 0.632 . . . . 0.0 110.648 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.0 t -156.38 172.79 17.89 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.298 1.039 . . . . 0.0 109.03 176.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.07 154.66 12.35 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.32 -33.06 74.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.824 -0.547 . . . . 0.0 112.041 -173.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -70.67 -22.59 62.46 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.816 0.735 . . . . 0.0 111.054 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.7 m -69.95 -35.03 74.18 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -82.46 -27.85 31.63 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.96 0.504 . . . . 0.0 110.93 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.14 -42.55 55.92 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.43 -40.06 89.68 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -65.07 -38.15 89.86 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.929 0.892 . . . . 0.0 110.995 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.4 mt -78.81 -35.81 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.84 -36.45 72.88 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 117.897 0.317 . . . . 0.0 111.714 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.445 HG23 ' CE2' ' A' ' 40' ' ' TYR . 10.4 p -77.42 -27.74 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 CA-C-N 118.129 0.422 . . . . 0.0 110.527 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.439 HD21 ' N2 ' ' B' ' 2' ' ' ' DG' . 42.5 t-20 -80.77 -28.8 36.28 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 178.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.4 m -76.17 -39.31 55.2 Favored 'General case' 0 N--CA 1.457 -0.086 0 O-C-N 121.957 -0.465 . . . . 0.0 110.32 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.55 -30.15 64.18 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 117.814 0.279 . . . . 0.0 110.964 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -82.46 -29.9 30.32 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.388 -0.195 . . . . 0.0 110.634 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -72.96 -22.82 60.64 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -71.99 -34.04 68.59 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.992 -0.443 . . . . 0.0 110.437 177.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.96 -27.92 66.16 Favored 'General case' 0 CA--C 1.527 0.094 0 O-C-N 122.22 -0.3 . . . . 0.0 111.495 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.0 m -94.99 -15.19 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 117.93 0.332 . . . . 0.0 111.53 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.45 -16.2 62.9 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 122.213 -0.305 . . . . 0.0 110.488 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -116.49 -9.74 11.38 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.761 0.424 . . . . 0.0 111.219 176.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -88.86 -18.95 53.32 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 112.021 -0.432 . . . . 0.0 112.021 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -154.7 175.13 14.07 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.798 0.839 . . . . 0.0 109.738 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 58.32 12.12 1.87 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.415 1.086 . . . . 0.0 112.048 -175.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 37.6 tp -148.88 -7.48 0.37 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.985 0.914 . . . . 0.0 110.078 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -106.84 3.45 26.38 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.561 0.745 . . . . 0.0 111.466 -176.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.5 tp -136.9 -2.9 2.06 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.046 0.538 . . . . 0.0 111.253 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--O 1.252 1.218 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.528 -178.709 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.676 1 O4'-C1'-N19 111.89 5.113 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.589 " H1'" ' C6 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.831 1 O4'-C1'-N19 112.956 6.445 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.589 ' C6 ' " H1'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.421 -2.279 1 O4'-C1'-N19 111.596 4.745 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.553 0 O4'-C4'-C3' 109.097 3.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.229 0 O4'-C1'-N19 109.992 2.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.37 1 O4'-C1'-N19 111.418 4.523 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.487 1 P-O3'-C3' 125.24 4.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.475 0.798 0 CA-C-O 120.398 0.142 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -149.84 162.65 39.88 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.969 0.508 . . . . 0.0 110.724 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -87.63 162.51 17.09 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.673 0.389 . . . . 0.0 110.921 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -139.29 167.68 21.52 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.611 0.764 . . . . 0.0 110.018 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.2 mp -80.35 82.93 6.28 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.6 p -72.22 168.66 17.79 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 123.256 0.622 . . . . 0.0 109.771 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.92 -16.95 62.67 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.192 -0.318 . . . . 0.0 111.04 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -75.95 -45.34 35.47 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 122.071 -0.393 . . . . 0.0 110.62 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.8 p -84.37 -26.16 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-N 118.007 0.367 . . . . 0.0 110.836 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.0 tp -73.02 -27.99 62.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.1 t -76.7 -36.48 27.09 Favored 'Isoleucine or valine' 0 C--N 1.338 0.092 0 CA-C-O 119.373 -0.346 . . . . 0.0 110.222 175.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -66.17 -30.13 70.54 Favored 'General case' 0 C--N 1.338 0.096 0 CA-C-N 118.659 0.663 . . . . 0.0 110.125 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -72.34 -31.28 65.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.09 0.156 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.72 -29.18 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 118.041 0.382 . . . . 0.0 110.025 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -72.15 -15.3 61.97 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 117.9 0.318 . . . . 0.0 110.931 176.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -83.91 3.84 32.19 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.823 0.449 . . . . 0.0 111.232 172.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.36 9.02 65.57 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.593 -0.559 . . . . 0.0 112.973 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -78.93 111.98 15.65 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 118.035 0.917 . . . . 0.0 109.889 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -80.22 -28.22 38.63 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.621 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.7 mmpt? -71.72 -28.51 63.73 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 -27.92 65.59 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.37 -33.41 37.23 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.449 -0.157 . . . . 0.0 110.884 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -64.73 -34.32 78.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mp -75.33 -28.41 59.61 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.763 0.425 . . . . 0.0 110.017 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 tp -72.45 -30.22 64.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.84 0.456 . . . . 0.0 110.091 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.0 -46.41 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.25 -23.66 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 117.607 0.185 . . . . 0.0 110.512 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -73.37 -36.32 66.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.781 0.432 . . . . 0.0 111.775 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -114.81 0.21 13.73 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -175.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -60.66 -29.42 69.28 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 119.229 0.922 . . . . 0.0 113.28 -174.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -86.04 -26.69 25.23 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.59 0.632 . . . . 0.0 110.408 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.728 ' HE2' ' CZ ' ' A' ' 71' ' ' TYR . 2.2 tmtm? -73.8 -43.91 57.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.768 0.827 . . . . 0.0 110.813 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.1 -31.62 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.982 -177.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.61 -28.43 67.73 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 117.992 0.36 . . . . 0.0 110.358 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.3 m -79.86 -22.19 43.21 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 122.641 0.376 . . . . 0.0 110.867 178.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 tp -83.9 -40.42 18.61 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.49 0.316 . . . . 0.0 111.581 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 m -80.86 -22.29 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 118.526 0.603 . . . . 0.0 111.16 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.2 m -60.88 -15.71 33.65 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 118.161 0.437 . . . . 0.0 111.127 175.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -79.76 -10.53 59.8 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.338 0.655 . . . . 0.0 111.306 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -126.72 -18.28 4.79 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.2 m -133.1 153.69 80.95 Favored Pre-proline 0 CA--C 1.528 0.114 0 CA-C-N 118.476 0.58 . . . . 0.0 110.621 177.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -70.41 160.96 47.75 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.586 2.857 . . . . 0.0 109.776 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.3 p -58.99 -17.98 29.94 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -174.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.19 -14.85 81.9 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-O 119.321 -0.71 . . . . 0.0 112.54 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -118.73 -7.52 10.5 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.23 1.015 . . . . 0.0 112.29 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.44 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 79.6 t -55.72 -51.49 79.83 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-O 118.305 -0.855 . . . . 0.0 111.926 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.0 Cg_endo -66.14 -24.57 51.59 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 121.386 1.391 . . . . 0.0 112.242 -174.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -85.27 -31.2 23.23 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.979 -0.45 . . . . 0.0 110.997 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.1 t -78.67 -29.18 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.5 t -71.44 -33.69 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -72.85 -27.98 62.26 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 119.737 -0.173 . . . . 0.0 111.021 -176.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -82.06 -26.82 33.36 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.389 0.54 . . . . 0.0 110.145 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.96 -34.63 76.94 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.988 -0.445 . . . . 0.0 111.129 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -84.58 -35.13 22.99 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.991 -0.443 . . . . 0.0 111.393 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.13 -30.08 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 118.62 0.646 . . . . 0.0 110.121 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HA ' ' HE ' ' A' ' 59' ' ' ARG . 56.4 tptt -73.17 -33.4 65.42 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.27 -32.13 64.48 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 119.618 -0.23 . . . . 0.0 110.487 176.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -64.98 -38.13 89.95 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.37 0.532 . . . . 0.0 111.404 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.405 ' HE ' ' HA ' ' A' ' 56' ' ' LYS . 25.3 ptt180 -91.93 -5.5 53.05 Favored 'General case' 0 C--N 1.338 0.105 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.34 -7.97 15.15 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.1 tt -74.76 -20.02 59.98 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.118 0.567 . . . . 0.0 110.872 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.45 -8.0 54.07 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.0 m -114.58 9.87 16.68 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.241 1.017 . . . . 0.0 110.839 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -67.37 131.89 46.61 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.0 mtm-85 -99.4 -16.83 18.26 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -174.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.21 19.5 79.64 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.713 -0.555 . . . . 0.0 111.713 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -66.17 -11.62 50.67 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.316 0.646 . . . . 0.0 110.809 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.1 t -155.93 173.72 16.37 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.492 1.117 . . . . 0.0 108.946 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.72 154.61 21.14 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.64 -34.33 76.84 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 122.077 -0.389 . . . . 0.0 111.641 -175.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.728 ' CZ ' ' HE2' ' A' ' 32' ' ' LYS . 56.9 t80 -68.03 -31.38 71.02 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 117.594 0.179 . . . . 0.0 110.996 -177.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.1 m -65.99 -34.7 78.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -82.03 -33.45 29.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.379 0.672 . . . . 0.0 110.748 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.92 -36.24 79.83 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -65.09 -42.99 93.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.613 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -65.67 -36.44 83.65 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.031 0.378 . . . . 0.0 111.896 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.8 mt -71.68 -34.76 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.134 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.87 -40.38 69.0 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 118.052 0.387 . . . . 0.0 111.946 -175.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.78 -31.23 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.052 0 CA-C-N 118.161 0.437 . . . . 0.0 110.156 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -83.01 -22.94 33.48 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.25 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.4 m -74.06 -39.58 63.4 Favored 'General case' 0 N--CA 1.458 -0.062 0 CA-C-N 118.795 0.725 . . . . 0.0 109.353 175.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.04 -29.49 60.79 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 122.055 0.142 . . . . 0.0 111.079 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -82.34 -31.71 29.69 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 122.012 -0.43 . . . . 0.0 110.789 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -73.85 -21.27 60.17 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 175.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -72.1 -31.38 66.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 119.712 -0.185 . . . . 0.0 110.96 176.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.24 -34.33 65.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 118.314 0.507 . . . . 0.0 111.735 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.7 m -79.65 -14.99 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.103 0 CA-C-N 118.088 0.404 . . . . 0.0 110.839 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.38 -19.81 60.9 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.026 0.13 . . . . 0.0 110.735 173.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -87.9 -25.47 23.22 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 117.791 0.268 . . . . 0.0 111.426 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -90.56 -4.22 70.65 Favored Glycine 0 CA--C 1.525 0.659 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.652 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -132.93 170.05 15.9 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.62 0.768 . . . . 0.0 109.938 -177.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 54.56 19.29 2.34 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.286 1.035 . . . . 0.0 113.146 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -149.63 32.9 0.7 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.199 0.523 . . . . 0.0 109.817 -177.196 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -131.4 6.86 4.5 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.622 0.769 . . . . 0.0 111.58 -178.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.5 tp -136.98 4.53 2.75 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.491 0.716 . . . . 0.0 110.646 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.3 p . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.058 -1.448 . . . . 0.0 110.063 -178.864 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.433 1 O4'-C1'-N19 111.981 5.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.502 1 O4'-C1'-N19 111.718 4.898 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.51 1 P-O3'-C3' 125.186 4.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.399 0 O4'-C4'-C3' 108.948 3.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.201 0 O4'-C1'-N19 110.111 2.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.504 1 O4'-C1'-N19 112.399 5.749 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.145 0 C5'-C4'-C3' 108.974 -3.817 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.564 -0.161 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -135.1 10.88 3.57 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.844 0.457 . . . . 0.0 111.364 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -80.21 160.73 25.51 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 122.067 -0.396 . . . . 0.0 110.586 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -90.08 153.86 20.23 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.544 0.338 . . . . 0.0 110.965 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.7 mp -90.97 73.42 6.45 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.4 p -65.1 168.3 6.84 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 122.748 0.419 . . . . 0.0 110.04 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -62.45 -17.27 59.05 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 122.124 -0.36 . . . . 0.0 111.682 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -75.55 -47.12 28.2 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.033 -0.417 . . . . 0.0 110.763 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.11 -28.17 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-N 117.636 0.198 . . . . 0.0 110.82 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp -70.32 -27.9 64.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.7 t -78.22 -36.83 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 O-C-N 122.321 -0.237 . . . . 0.0 110.461 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -67.05 -27.47 67.42 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 118.555 0.616 . . . . 0.0 110.147 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.5 ttm-85 -74.22 -31.9 62.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.04 0.536 . . . . 0.0 110.724 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.9 t -76.2 -29.02 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 175.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -70.9 -15.29 62.6 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.988 -0.445 . . . . 0.0 110.293 174.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -82.43 -0.66 47.2 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.221 0.608 . . . . 0.0 110.8 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.17 6.64 62.93 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 119.605 -0.553 . . . . 0.0 112.735 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -78.23 109.85 12.72 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.067 0.933 . . . . 0.0 109.701 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -80.34 -28.38 38.12 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.483 -0.136 . . . . 0.0 110.738 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.623 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -71.28 -30.79 66.71 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.11 68.77 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -74.19 -30.47 62.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.213 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -64.94 -36.43 84.36 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 122.07 -0.394 . . . . 0.0 110.379 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.3 -26.79 62.09 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.5 tp -75.75 -29.44 58.85 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.671 0.388 . . . . 0.0 110.057 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -72.51 -45.66 58.29 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.44 -23.63 33.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -75.82 -33.25 60.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 122.864 0.465 . . . . 0.0 111.976 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -114.76 -2.3 13.02 Favored 'General case' 0 C--N 1.337 0.056 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -60.27 -29.61 68.91 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.409 1.004 . . . . 0.0 112.703 -173.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -85.53 -28.51 24.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.521 0.6 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -80.46 -36.05 34.05 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.371 0.268 . . . . 0.0 110.68 -177.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.8 p -78.11 -29.95 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.61 -27.47 66.06 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.4 m -78.58 -22.24 47.43 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.185 0.194 . . . . 0.0 110.529 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.3 tp -84.16 -45.29 13.12 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.573 0.349 . . . . 0.0 111.587 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.3 m -76.39 -20.88 15.11 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.846 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.6 t -61.28 -16.03 41.35 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.094 -0.378 . . . . 0.0 110.76 176.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -79.41 -9.07 59.52 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.937 0.495 . . . . 0.0 111.607 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -126.93 -13.3 5.79 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -177.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -138.05 154.88 74.58 Favored Pre-proline 0 CA--C 1.529 0.142 0 CA-C-N 118.663 0.665 . . . . 0.0 111.251 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -58.88 156.43 33.27 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.654 2.902 . . . . 0.0 111.025 173.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.0 p -62.43 -17.68 59.93 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.15 -12.7 84.09 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.521 -0.6 . . . . 0.0 112.155 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -118.38 -4.27 10.9 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.077 0.939 . . . . 0.0 112.134 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.451 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 48.8 t -58.39 -50.16 89.59 Favored Pre-proline 0 C--N 1.34 0.183 0 CA-C-O 118.255 -0.879 . . . . 0.0 112.074 178.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 59.0 Cg_endo -66.37 -22.47 52.55 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.316 1.344 . . . . 0.0 112.032 -174.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -84.23 -32.03 24.7 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 118.112 0.415 . . . . 0.0 110.791 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.8 t -80.95 -27.96 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.2 t -72.52 -35.89 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -72.83 -21.7 60.92 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 117.754 0.252 . . . . 0.0 110.436 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -83.78 -20.74 32.77 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 121.702 -0.624 . . . . 0.0 110.206 175.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.95 -34.02 26.6 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 119.552 -0.261 . . . . 0.0 111.513 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -81.56 -31.99 32.41 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.098 0.408 . . . . 0.0 110.959 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.53 -30.17 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -73.32 -31.72 64.16 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.5 -31.76 60.3 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 119.481 -0.295 . . . . 0.0 110.679 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -63.77 -39.8 95.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.486 0.585 . . . . 0.0 111.409 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -92.09 -5.48 52.71 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.17 -4.52 16.48 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.0 tt -79.01 -17.39 55.44 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 122.898 0.479 . . . . 0.0 111.051 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -70.52 -11.36 60.87 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.072 -0.393 . . . . 0.0 111.232 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.5 p -114.99 8.43 15.81 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.459 0.703 . . . . 0.0 111.274 177.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -67.27 130.24 42.46 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.2 mtm-85 -99.41 -16.03 18.54 Favored 'General case' 0 CA--C 1.527 0.061 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -174.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.58 23.49 62.4 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.82 -9.4 44.15 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.104 0.562 . . . . 0.0 111.211 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.1 t -157.21 172.91 17.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.09 0.956 . . . . 0.0 109.068 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.87 151.86 20.67 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 175.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.85 -33.5 75.4 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -172.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -75.17 -19.25 59.94 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 119.771 -0.772 . . . . 0.0 111.474 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.7 m -70.04 -33.89 72.56 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -82.1 -32.17 30.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.375 0.67 . . . . 0.0 110.294 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.04 -36.9 69.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -63.41 -40.94 98.56 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.619 0.368 . . . . 0.0 110.176 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -67.13 -36.59 82.21 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.2 mt -74.31 -35.33 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.62 -40.39 80.38 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.054 0.388 . . . . 0.0 111.876 -175.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.93 -35.32 42.05 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-N 118.293 0.497 . . . . 0.0 110.296 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -78.67 -16.71 56.97 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 119.469 -0.3 . . . . 0.0 110.992 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 51.0 m -83.44 -38.24 22.14 Favored 'General case' 0 C--O 1.228 -0.043 0 CA-C-N 118.514 0.597 . . . . 0.0 109.794 174.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.54 -30.85 63.33 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -79.28 -26.61 42.31 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 122.145 -0.347 . . . . 0.0 110.957 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -74.33 -21.89 59.5 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -76.12 -26.69 56.61 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.976 -0.453 . . . . 0.0 110.627 176.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.64 -19.7 48.5 Favored 'General case' 0 CA--C 1.527 0.094 0 O-C-N 121.792 -0.567 . . . . 0.0 112.155 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.6 m -98.74 -15.0 7.57 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.042 0 CA-C-N 117.909 0.322 . . . . 0.0 111.098 177.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.83 -23.11 45.28 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.377 -0.202 . . . . 0.0 110.83 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -108.67 -10.64 15.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.333 0.653 . . . . 0.0 110.788 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.47 -18.62 65.94 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 177.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -154.21 143.24 21.15 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.849 0.86 . . . . 0.0 109.39 176.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -144.4 134.64 24.3 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 72.4 mt 51.74 22.26 1.62 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.567 0.747 . . . . 0.0 111.335 -176.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -149.73 135.87 18.88 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.016 0.926 . . . . 0.0 109.421 -175.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.1 mt 48.25 31.78 2.81 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.975 0.91 . . . . 0.0 112.939 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 C--O 1.252 1.218 0 CA-C-O 117.42 -1.276 . . . . 0.0 110.141 179.654 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . 0.44 " H3'" H5'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.416 -2.717 1 O4'-C1'-N19 113.577 7.222 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.44 H5'' " H3'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.451 0 O4'-C1'-N19 110.799 3.749 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.441 0 O4'-C1'-N19 109.911 2.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.482 0 O4'-C4'-C3' 108.999 3.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 0 O4'-C1'-N19 110.223 3.029 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.473 1 O4'-C1'-N19 111.637 4.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.367 1 O4'-C1'-N19 111.412 4.515 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 110.486 -0.19 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -143.26 159.31 42.57 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.062 0.545 . . . . 0.0 110.355 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -138.0 161.41 36.79 Favored 'General case' 0 CA--C 1.526 0.047 0 C-N-CA 123.558 0.743 . . . . 0.0 110.145 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -84.23 1.44 44.61 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.95 0.5 . . . . 0.0 110.866 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.1 mp -97.72 50.85 1.05 Allowed 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.003 0.921 . . . . 0.0 110.093 -175.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.6 p -63.08 170.71 2.64 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 123.39 0.676 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -65.03 -15.09 61.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.246 -0.284 . . . . 0.0 111.746 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -75.71 -44.88 39.81 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.789 -0.569 . . . . 0.0 110.74 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.8 p -82.46 -25.52 8.8 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.052 0 C-N-CA 122.235 0.214 . . . . 0.0 110.569 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.4 tp -77.75 -29.07 50.85 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 122.289 -0.257 . . . . 0.0 110.848 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.45 -39.57 27.79 Favored 'Isoleucine or valine' 0 C--N 1.339 0.128 0 O-C-N 122.148 -0.345 . . . . 0.0 110.51 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.19 -22.59 61.25 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 118.882 0.765 . . . . 0.0 110.466 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -72.51 -31.56 65.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 122.298 -0.251 . . . . 0.0 110.605 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.6 t -73.51 -29.38 27.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -71.66 -15.3 62.22 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.946 -0.472 . . . . 0.0 110.901 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -88.03 6.96 33.57 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.451 0.7 . . . . 0.0 111.163 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.17 7.52 63.86 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 119.574 -0.57 . . . . 0.0 113.193 174.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -81.9 107.27 14.48 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.288 1.044 . . . . 0.0 110.154 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -80.39 -25.56 39.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 122.502 -0.124 . . . . 0.0 110.857 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.632 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -71.88 -32.4 67.41 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.009 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.18 -29.02 69.8 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 176.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -75.71 -31.39 59.64 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.371 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -65.07 -33.36 75.84 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.052 -0.405 . . . . 0.0 110.658 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.2 -27.13 56.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.5 tp -75.25 -30.72 60.59 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.475 0.31 . . . . 0.0 110.288 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.09 -49.46 67.59 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.8 t -67.77 -23.78 29.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -69.69 -31.11 68.96 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.61 0.364 . . . . 0.0 111.375 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -114.73 -0.24 13.63 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -58.45 -38.44 77.53 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.651 0.659 . . . . 0.0 112.2 -173.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -82.75 -23.89 33.76 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 117.966 0.348 . . . . 0.0 111.042 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HE2' ' CZ ' ' A' ' 71' ' ' TYR . 80.5 tttt -85.18 -34.01 22.17 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.342 0.257 . . . . 0.0 110.798 -176.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -79.69 -28.52 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.51 64.52 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.9 t -76.33 -26.24 55.56 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.1 tp -82.8 -44.33 15.65 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.891 0.477 . . . . 0.0 112.025 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -79.01 -18.76 13.03 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 118.959 0.799 . . . . 0.0 111.176 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -61.97 -16.07 48.45 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.179 -0.325 . . . . 0.0 110.391 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -78.14 -11.86 59.95 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.352 0.661 . . . . 0.0 111.532 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -127.05 -13.42 5.7 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -175.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.3 m -138.13 154.67 74.27 Favored Pre-proline 0 N--CA 1.462 0.143 0 CA-C-N 118.826 0.739 . . . . 0.0 111.551 176.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.53 156.61 35.68 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.633 2.889 . . . . 0.0 111.018 173.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -61.15 -20.31 62.55 Favored 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 122.172 0.189 . . . . 0.0 111.423 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.65 -13.0 83.95 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-O 119.311 -0.716 . . . . 0.0 112.079 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -117.49 -5.23 11.23 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.292 1.046 . . . . 0.0 111.783 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.44 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 45.8 t -57.53 -51.02 84.81 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 118.426 -0.797 . . . . 0.0 112.193 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.1 Cg_endo -66.8 -23.69 47.78 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.481 1.454 . . . . 0.0 112.31 -173.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -87.17 -26.0 23.78 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 118.277 0.489 . . . . 0.0 111.122 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.5 t -84.13 -27.53 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.5 t -73.76 -39.76 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -72.55 -32.16 65.85 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.112 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.61 -25.46 63.05 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.4 -28.9 52.85 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.136 -0.353 . . . . 0.0 111.113 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -84.62 -34.75 23.05 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.144 0.429 . . . . 0.0 111.239 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.34 -29.85 40.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 CA-C-N 118.829 0.74 . . . . 0.0 109.52 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -75.13 -31.4 61.08 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 176.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.93 -31.15 61.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.59 -38.66 91.78 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.156 0.434 . . . . 0.0 111.383 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -88.03 -10.25 50.87 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.03 -9.58 15.07 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.2 tt -72.49 -19.41 61.55 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.88 0.472 . . . . 0.0 110.483 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.24 -9.11 58.36 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.711 0.291 . . . . 0.0 110.399 174.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -114.65 7.47 16.0 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.99 0.916 . . . . 0.0 111.087 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -68.0 130.83 44.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -99.22 -14.57 19.24 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -174.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.13 20.93 78.91 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -69.8 -7.72 42.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.057 0.543 . . . . 0.0 111.43 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.8 t -157.9 172.45 18.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.097 0.959 . . . . 0.0 109.377 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.35 154.47 13.53 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.006 0.523 . . . . 0.0 109.819 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.31 -31.65 72.9 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.405 ' CZ ' ' HE2' ' A' ' 32' ' ' LYS . 73.5 t80 -73.62 -25.81 60.49 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.628 0.649 . . . . 0.0 111.005 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.6 m -67.16 -34.34 77.34 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -81.65 -32.97 31.63 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.607 0.363 . . . . 0.0 110.459 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.1 -34.19 70.88 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -65.84 -40.39 91.72 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.22 -35.06 78.79 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 117.819 0.281 . . . . 0.0 110.674 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.433 HG12 ' C5 ' ' B' ' 3' ' ' ' DT' . 64.5 mt -73.56 -36.51 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.83 -41.26 75.21 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.12 0.418 . . . . 0.0 111.938 -174.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.8 p -74.29 -31.91 30.05 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-N 118.124 0.42 . . . . 0.0 110.489 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -82.86 -16.77 46.31 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 119.418 -0.325 . . . . 0.0 111.329 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.3 m -84.29 -37.81 21.21 Favored 'General case' 0 CA--C 1.527 0.065 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 173.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.41 -29.2 59.69 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -84.52 -34.29 23.33 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 117.98 0.355 . . . . 0.0 110.96 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -73.38 -18.49 61.16 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -70.07 -44.48 69.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.719 -0.613 . . . . 0.0 109.887 172.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.2 -23.89 66.9 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.3 p -97.82 -16.11 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 O-C-N 122.196 -0.315 . . . . 0.0 111.125 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.48 -21.64 41.8 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -175.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.82 -8.65 10.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.28 0.946 . . . . 0.0 111.465 171.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.99 -25.18 50.21 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-O 119.266 -0.741 . . . . 0.0 112.012 177.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -153.84 17.6 0.51 Allowed 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -132.29 -17.48 2.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.478 0.581 . . . . 0.0 111.89 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.5 mt -137.93 24.1 2.82 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.716 0.806 . . . . 0.0 110.275 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -68.57 158.86 33.05 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.212 0.529 . . . . 0.0 111.22 -178.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 46.3 tp -145.6 -20.23 0.47 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.726 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.252 1.209 0 CA-C-O 117.091 -1.433 . . . . 0.0 110.684 -179.588 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.264 1 O4'-C1'-N19 111.947 5.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 0 O4'-C1'-N19 110.574 3.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.433 ' C5 ' HG12 ' A' ' 77' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -2.825 0 O4'-C1'-N19 109.598 2.247 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.41 0 O4'-C4'-C3' 109.105 3.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.232 0 O4'-C1'-N19 109.887 2.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.557 1 O4'-C1'-N19 111.854 5.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.55 0 O4'-C1'-N19 110.123 2.903 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 110.69 -0.115 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m 54.63 24.17 5.27 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.154 0.981 . . . . 0.0 113.095 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.61 -6.11 37.51 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.895 0.478 . . . . 0.0 110.926 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 58.3 170.0 0.05 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.04 1.336 . . . . 0.0 113.16 -176.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.417 ' N ' HD22 ' A' ' 5' ' ' LEU . 2.2 mm? -104.9 48.09 0.85 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.482 0.713 . . . . 0.0 110.695 -178.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.2 p -63.28 173.51 1.5 Allowed 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.974 0.51 . . . . 0.0 110.6 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -63.09 -14.83 53.17 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 121.804 -0.56 . . . . 0.0 111.307 -178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -67.31 -41.57 85.12 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 117.961 0.346 . . . . 0.0 110.446 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -83.88 -24.67 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 CA-C-N 118.081 0.401 . . . . 0.0 110.295 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.75 -29.0 58.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.3 t -75.26 -35.13 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -71.35 -28.6 64.17 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-N 118.105 0.411 . . . . 0.0 110.53 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -72.84 -29.11 62.96 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.246 0.219 . . . . 0.0 110.867 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.3 t -77.07 -28.0 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 O-C-N 122.095 -0.378 . . . . 0.0 110.141 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -72.07 -15.81 62.02 Favored 'General case' 0 CA--C 1.529 0.163 0 O-C-N 122.082 -0.386 . . . . 0.0 110.394 175.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -83.48 4.5 27.59 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.791 0.436 . . . . 0.0 111.115 172.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.1 9.57 67.38 Favored Glycine 0 CA--C 1.528 0.874 0 CA-C-O 119.589 -0.562 . . . . 0.0 113.075 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -78.07 114.45 16.96 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.301 1.051 . . . . 0.0 110.331 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.2 tp60 -80.13 -28.66 38.88 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.614 0.366 . . . . 0.0 111.031 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.8 mmpt? -75.72 -30.67 59.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.6 -30.14 70.82 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -76.23 -30.89 58.1 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.119 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -62.94 -35.59 80.63 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.817 0.28 . . . . 0.0 110.638 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.52 -30.46 64.5 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.8 tp -71.59 -30.37 65.75 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.02 -42.76 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.48 -23.87 34.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 CA-C-N 117.932 0.333 . . . . 0.0 110.97 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.99 -31.46 58.97 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 122.039 -0.413 . . . . 0.0 111.884 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -117.46 -0.02 12.04 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -175.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -59.94 -31.1 69.54 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 119.348 0.976 . . . . 0.0 113.24 -174.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -85.33 -27.56 25.82 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.31 0.505 . . . . 0.0 110.403 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.658 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 9.1 tmtt? -71.7 -46.01 60.09 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.373 0.669 . . . . 0.0 110.569 178.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.8 p -73.17 -31.39 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.186 -176.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.98 -29.43 68.46 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 122.074 -0.391 . . . . 0.0 110.819 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.6 m -80.12 -22.06 42.54 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.21 0.204 . . . . 0.0 110.696 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -84.11 -40.86 17.75 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 122.608 0.363 . . . . 0.0 111.572 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 m -80.87 -21.2 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.077 0 CA-C-N 118.568 0.622 . . . . 0.0 111.173 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.1 t -61.06 -15.87 37.32 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.682 0.277 . . . . 0.0 110.63 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -79.23 -11.48 59.96 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.335 0.654 . . . . 0.0 111.506 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -127.08 -15.43 5.29 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -175.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.8 m -136.42 154.36 76.89 Favored Pre-proline 0 N--CA 1.463 0.216 0 CA-C-N 118.346 0.521 . . . . 0.0 110.584 176.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -70.08 162.02 43.79 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.427 2.751 . . . . 0.0 110.097 176.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.0 p -60.34 -18.2 48.31 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.91 -15.09 81.59 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.485 -0.619 . . . . 0.0 112.436 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -118.56 -5.84 10.72 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 117.981 0.891 . . . . 0.0 112.149 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.43 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 54.8 t -56.59 -50.92 85.07 Favored Pre-proline 0 C--O 1.226 -0.176 0 CA-C-O 118.343 -0.837 . . . . 0.0 112.186 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 66.0 Cg_endo -68.14 -22.93 40.21 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 121.444 1.429 . . . . 0.0 112.379 -174.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -87.0 -25.83 24.06 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 118.11 0.414 . . . . 0.0 111.038 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.9 t -84.53 -27.02 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.4 t -73.93 -39.74 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.45 -31.86 65.79 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.645 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -72.23 -24.71 61.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 122.224 -0.297 . . . . 0.0 110.391 176.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.01 -32.77 61.7 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 122.273 -0.267 . . . . 0.0 110.746 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -84.59 -35.86 22.47 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 117.772 0.26 . . . . 0.0 111.235 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -69.72 -29.52 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 118.937 0.789 . . . . 0.0 109.765 177.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -74.66 -31.63 61.99 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.272 0.487 . . . . 0.0 109.993 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.02 -33.11 63.65 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -63.3 -37.87 88.96 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.068 0.394 . . . . 0.0 111.403 -177.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -87.7 -12.01 46.6 Favored 'General case' 0 CA--C 1.527 0.059 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.14 -7.53 16.02 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 tt -75.13 -21.7 58.67 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.604 0.762 . . . . 0.0 110.385 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.55 -8.85 57.63 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 174.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.0 m -114.71 12.36 17.08 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.989 0.915 . . . . 0.0 110.956 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -66.66 132.25 47.73 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 mtt85 -99.53 -18.68 17.27 Favored 'General case' 0 C--N 1.337 0.054 0 C-N-CA 123.035 0.534 . . . . 0.0 112.118 -174.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.89 20.15 79.59 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.709 -0.556 . . . . 0.0 111.709 178.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.56 -10.26 54.64 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 117.272 0.536 . . . . 0.0 111.17 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.1 t -154.91 172.47 17.99 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.37 1.068 . . . . 0.0 108.754 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.52 152.85 17.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 176.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.24 -31.42 72.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -174.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.658 ' CZ ' ' HE3' ' A' ' 32' ' ' LYS . 69.6 t80 -71.16 -28.56 64.34 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 118.091 0.405 . . . . 0.0 110.991 -178.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.9 m -66.96 -34.36 77.6 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -82.41 -31.8 29.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.661 0.784 . . . . 0.0 111.025 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -38.35 72.43 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -67.32 -39.33 85.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -65.78 -35.42 80.65 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.512 0.725 . . . . 0.0 111.39 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.4 mt -75.98 -34.5 27.33 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.114 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.54 -40.78 85.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 118.046 0.384 . . . . 0.0 111.938 -175.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.8 p -74.02 -31.95 31.73 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.043 0 CA-C-N 117.889 0.313 . . . . 0.0 110.502 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -82.89 -17.88 42.22 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.46 -0.305 . . . . 0.0 111.722 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.4 m -82.31 -39.24 23.15 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 118.542 0.61 . . . . 0.0 109.895 176.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.58 -27.41 62.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 122.249 -0.282 . . . . 0.0 110.873 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -84.12 -31.14 25.4 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 122.288 -0.257 . . . . 0.0 110.677 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -72.81 -22.03 60.88 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -73.92 -32.41 63.52 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.057 -0.402 . . . . 0.0 110.713 175.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.37 -23.37 64.66 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.013 -0.429 . . . . 0.0 111.505 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m -101.78 -14.82 7.97 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.109 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.28 -26.94 60.5 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.263 0.483 . . . . 0.0 111.88 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -118.56 -8.55 10.43 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 122.539 0.336 . . . . 0.0 110.963 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -88.03 -6.85 74.81 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 176.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -131.76 -167.49 1.88 Allowed 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.795 0.838 . . . . 0.0 110.912 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 65.2 139.36 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.75 1.62 . . . . 0.0 110.794 -172.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 51.47 36.57 17.1 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.224 0.61 . . . . 0.0 110.362 -172.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -72.21 160.33 32.61 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.035 0.445 . . . . 0.0 110.991 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.9 tp 53.49 26.05 5.23 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.157 0.983 . . . . 0.0 112.615 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.971 179.417 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 1 O4'-C1'-N19 112.272 5.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.432 1 O4'-C1'-N19 111.332 4.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.555 0 O4'-C1'-N19 110.283 3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.584 0 O4'-C4'-C3' 108.899 3.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.013 0 O4'-C1'-N19 110.155 2.944 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.43 1 O4'-C1'-N19 111.797 4.996 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 0 C5'-C4'-C3' 109.199 -3.667 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -140.64 8.5 2.16 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 56.37 -174.98 0.06 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.078 0.951 . . . . 0.0 112.471 -177.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 54.42 59.44 4.16 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.879 0.872 . . . . 0.0 111.791 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mp -79.8 38.66 0.4 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.45 1.1 . . . . 0.0 110.32 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.3 p -69.97 175.9 4.11 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.561 0.745 . . . . 0.0 110.926 -178.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.01 -14.86 57.32 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 122.493 0.317 . . . . 0.0 111.3 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -71.53 -45.46 62.31 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.975 -0.453 . . . . 0.0 110.623 -177.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.8 -26.08 7.52 Favored 'Isoleucine or valine' 0 C--N 1.339 0.111 0 CA-C-N 117.935 0.334 . . . . 0.0 110.729 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 tp -71.85 -27.16 62.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.6 t -78.24 -36.95 21.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 O-C-N 122.09 -0.381 . . . . 0.0 110.152 175.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -67.8 -29.98 69.29 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.505 0.593 . . . . 0.0 110.197 176.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.4 ttm-85 -71.54 -32.31 68.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.112 0.165 . . . . 0.0 110.735 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.5 t -73.88 -28.05 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-N 117.987 0.358 . . . . 0.0 110.206 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -72.65 -15.47 61.71 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.019 0.372 . . . . 0.0 110.698 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -86.03 5.46 33.37 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.804 0.442 . . . . 0.0 111.248 173.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.08 8.29 69.1 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-O 119.618 -0.546 . . . . 0.0 112.868 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -77.54 103.77 7.67 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 117.948 0.874 . . . . 0.0 109.632 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -79.83 -25.74 40.69 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.513 0.197 . . . . 0.0 110.641 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.635 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.1 mmpt? -72.16 -30.8 65.36 Favored 'General case' 0 CA--C 1.52 -0.184 0 O-C-N 121.92 -0.487 . . . . 0.0 109.73 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.79 -29.0 67.27 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -73.21 -30.87 63.81 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -64.66 -36.37 84.03 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.869 -0.519 . . . . 0.0 110.214 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.59 -26.74 62.73 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 176.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.4 tp -77.31 -28.86 53.39 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.6 t -73.53 -44.57 53.48 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.89 -23.56 33.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -73.84 -35.35 64.79 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -114.78 0.11 13.71 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 -176.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -60.08 -30.33 69.16 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.384 0.993 . . . . 0.0 112.918 -174.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -84.27 -28.11 27.41 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 118.375 0.534 . . . . 0.0 110.687 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.67 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 8.6 tmtt? -72.33 -45.94 57.72 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.446 0.699 . . . . 0.0 110.608 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.4 p -73.27 -31.57 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.255 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.03 -27.29 66.41 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 117.982 0.355 . . . . 0.0 110.343 178.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.4 m -81.49 -20.98 39.0 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.932 0.493 . . . . 0.0 110.875 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -85.74 -41.7 14.88 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 119.342 -0.361 . . . . 0.0 111.29 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.8 m -80.82 -23.23 10.96 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 CA-C-N 118.529 0.604 . . . . 0.0 111.309 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 98.0 p -62.87 -15.7 55.81 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.129 0.422 . . . . 0.0 111.074 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -77.17 -10.3 59.32 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.082 0.553 . . . . 0.0 111.296 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.439 ' CE2' HG23 ' A' ' 79' ' ' VAL . 40.9 m-85 -126.61 -19.51 4.55 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.41 153.3 81.57 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-N 118.454 0.57 . . . . 0.0 110.517 176.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.49 161.14 47.07 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.447 2.765 . . . . 0.0 109.843 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.4 p -60.16 -18.1 45.42 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.51 -15.2 81.37 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 119.289 -0.728 . . . . 0.0 112.319 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -118.65 -5.84 10.68 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 118.22 1.01 . . . . 0.0 112.445 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.434 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.3 t -57.52 -49.91 91.13 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-O 118.385 -0.817 . . . . 0.0 112.313 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 65.9 Cg_endo -67.88 -22.11 43.03 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 121.458 1.439 . . . . 0.0 112.015 -174.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -85.42 -31.29 22.95 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.18 0.445 . . . . 0.0 110.864 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.9 t -81.24 -28.95 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.8 t -72.4 -38.48 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -73.27 -26.8 61.24 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.44 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -80.4 -23.73 40.19 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 122.077 -0.389 . . . . 0.0 110.429 176.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.65 -33.59 62.55 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 122.24 -0.288 . . . . 0.0 111.418 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -83.12 -34.57 26.05 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 118.318 0.508 . . . . 0.0 111.068 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.19 -28.95 30.57 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 118.585 0.629 . . . . 0.0 109.792 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -74.4 -31.5 62.36 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.174 0.443 . . . . 0.0 110.03 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.28 -32.91 63.1 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -63.76 -36.77 84.95 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 117.925 0.33 . . . . 0.0 111.566 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -90.42 -9.32 47.96 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.22 -7.96 15.19 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 tt -73.7 -19.85 60.7 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 123.071 0.548 . . . . 0.0 110.683 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.68 -8.62 56.25 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.341 0.256 . . . . 0.0 110.324 174.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.4 m -114.6 9.23 16.52 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.872 0.869 . . . . 0.0 111.127 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -67.97 129.74 40.82 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -99.47 -14.76 18.95 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -174.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.22 21.08 76.49 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -67.8 -10.27 51.38 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.245 0.618 . . . . 0.0 110.999 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.5 t -156.91 172.86 17.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.437 1.095 . . . . 0.0 108.886 178.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.48 152.77 20.95 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -64.5 -31.76 73.11 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 121.951 -0.468 . . . . 0.0 111.962 -174.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.67 ' CZ ' ' HE3' ' A' ' 32' ' ' LYS . 63.1 t80 -70.1 -29.67 66.69 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.3 0.5 . . . . 0.0 110.732 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.428 HG23 ' H62' ' B' ' 7' ' ' ' DA' . 20.6 m -65.76 -34.74 78.88 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -82.12 -32.33 30.21 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.003 0.521 . . . . 0.0 110.791 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.24 -34.16 72.52 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.68 -40.92 88.78 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 122.544 0.337 . . . . 0.0 110.17 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -64.79 -38.54 91.31 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 122.301 0.24 . . . . 0.0 111.425 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 48.5 mt -70.66 -36.93 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 118.081 0.4 . . . . 0.0 110.287 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.15 -38.81 69.11 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -175.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.439 HG23 ' CE2' ' A' ' 40' ' ' TYR . 14.7 p -77.37 -26.35 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.052 0 CA-C-N 118.302 0.501 . . . . 0.0 110.736 -179.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -82.89 -29.23 29.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.0 m -71.44 -39.88 70.72 Favored 'General case' 0 C--N 1.34 0.178 0 O-C-N 121.757 -0.589 . . . . 0.0 110.216 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.06 -28.11 61.24 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.302 -0.249 . . . . 0.0 111.548 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -83.91 -31.46 25.64 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 122.06 -0.4 . . . . 0.0 110.754 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -71.57 -22.84 61.69 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 175.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -73.83 -28.55 61.67 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.05 -0.406 . . . . 0.0 110.603 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.5 mt -75.63 -22.06 57.16 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 121.64 -0.663 . . . . 0.0 112.424 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.8 m -94.74 -15.39 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 CA-C-N 118.394 0.543 . . . . 0.0 111.28 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.74 -26.02 49.63 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.294 -0.254 . . . . 0.0 111.033 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.4 mp0 -108.22 -11.79 15.19 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.3 0.64 . . . . 0.0 110.614 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.43 -9.96 78.14 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -124.91 169.24 12.26 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.986 0.914 . . . . 0.0 109.601 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 57.58 12.2 1.48 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.604 1.162 . . . . 0.0 113.07 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 79.6 mt -138.13 26.32 2.68 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.622 0.769 . . . . 0.0 110.659 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -91.1 155.87 18.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.922 0.489 . . . . 0.0 110.841 178.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 55.62 19.27 3.2 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.816 1.246 . . . . 0.0 113.371 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.035 -1.46 . . . . 0.0 110.883 176.924 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.821 1 O4'-C1'-N19 112.821 6.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.363 0 C5'-C4'-C3' 110.435 -2.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.54 0 O4'-C4'-C3' 109.234 3.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.034 0 O4'-C1'-N19 110.228 3.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.465 1 O4'-C1'-N19 112.421 5.776 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.428 ' H62' HG23 ' A' ' 72' ' ' THR . . . . . . . . 0 C5'--C4' 1.531 2.465 0 C5'-C4'-C3' 109.129 -3.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.9 p . . . . . 0 C--O 1.231 0.113 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.34 -15.97 51.47 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.741 -0.599 . . . . 0.0 110.672 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -72.19 -37.78 69.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.971 -0.456 . . . . 0.0 110.886 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 m -83.43 -26.55 7.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 CA-C-N 118.187 0.449 . . . . 0.0 110.001 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.9 tp -80.38 -31.2 37.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.166 -175.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.9 t -75.87 -36.03 31.56 Favored 'Isoleucine or valine' 0 C--N 1.338 0.077 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -72.55 -26.47 61.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 122.138 -0.351 . . . . 0.0 110.283 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -73.7 -30.1 62.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.157 -0.339 . . . . 0.0 110.71 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -75.44 -28.39 20.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 CA-C-N 117.96 0.346 . . . . 0.0 110.421 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -72.35 -15.95 61.87 Favored 'General case' 0 CA--C 1.527 0.084 0 O-C-N 121.822 -0.549 . . . . 0.0 110.858 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -83.98 6.06 23.34 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.61 0.364 . . . . 0.0 111.38 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.57 7.64 64.77 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.65 -0.528 . . . . 0.0 113.289 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -80.19 111.25 16.38 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 118.308 1.054 . . . . 0.0 110.091 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -80.2 -29.46 38.6 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 122.301 -0.249 . . . . 0.0 110.953 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.635 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.5 mmpt? -69.97 -30.44 67.8 Favored 'General case' 0 N--CA 1.457 -0.111 0 O-C-N 122.065 -0.397 . . . . 0.0 109.953 -178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.54 -29.92 70.11 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 176.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -74.38 -29.97 61.77 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.229 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -64.77 -35.78 82.17 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 122.097 -0.377 . . . . 0.0 110.641 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.86 -24.93 58.65 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.1 tp -75.28 -29.81 60.22 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -70.75 -45.05 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.83 -23.69 33.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 O-C-N 122.353 -0.217 . . . . 0.0 110.512 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -73.76 -35.89 65.06 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.847 0.459 . . . . 0.0 111.534 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -114.65 -2.61 13.03 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -175.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -58.95 -30.9 68.24 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 119.518 1.053 . . . . 0.0 112.849 -173.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -85.17 -29.03 25.09 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-N 118.089 0.404 . . . . 0.0 110.701 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -80.81 -33.62 34.63 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.987 0.515 . . . . 0.0 110.8 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.5 p -79.28 -28.84 13.48 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.13 -26.93 66.04 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.297 -0.252 . . . . 0.0 110.691 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.7 m -79.01 -21.99 46.14 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 122.899 0.48 . . . . 0.0 110.943 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -83.78 -44.25 14.58 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.3 m -78.78 -22.24 12.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-N 118.812 0.733 . . . . 0.0 111.654 -176.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 94.0 p -62.03 -14.9 40.21 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.086 0.403 . . . . 0.0 110.779 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -79.35 -9.39 59.58 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.258 0.623 . . . . 0.0 111.29 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -126.91 -14.7 5.54 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -177.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.7 m -136.31 153.34 76.35 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-N 118.418 0.554 . . . . 0.0 110.545 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.26 161.58 45.29 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.464 2.776 . . . . 0.0 109.955 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.2 t -58.61 -21.52 53.68 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.857 0.463 . . . . 0.0 112.154 -175.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.33 -14.2 80.95 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.426 -0.652 . . . . 0.0 112.715 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -118.34 -6.2 10.8 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 118.149 0.975 . . . . 0.0 112.16 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.426 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 54.1 t -57.29 -51.68 79.9 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-O 118.497 -0.763 . . . . 0.0 111.965 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.6 Cg_endo -67.11 -22.55 47.15 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 121.372 1.381 . . . . 0.0 111.907 -174.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -84.66 -32.13 23.79 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.033 0.378 . . . . 0.0 110.784 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.7 t -80.76 -29.55 11.72 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 C-N-CA 122.519 0.328 . . . . 0.0 110.238 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.7 t -70.85 -38.44 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -72.59 -27.84 62.42 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -77.94 -24.19 48.3 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.195 -0.316 . . . . 0.0 110.404 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.35 -31.32 58.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 122.066 -0.396 . . . . 0.0 111.133 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -81.9 -32.44 30.94 Favored 'General case' 0 C--N 1.341 0.198 0 O-C-N 122.032 -0.418 . . . . 0.0 110.975 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.54 -30.44 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 O-C-N 121.695 -0.628 . . . . 0.0 110.227 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -73.4 -32.5 64.48 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.37 -29.66 57.27 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.76 -0.2 . . . . 0.0 110.556 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -62.6 -42.32 99.5 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 118.263 0.483 . . . . 0.0 111.143 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -92.07 -6.42 51.02 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.21 -7.2 16.06 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tt -72.31 -18.56 61.77 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.963 0.505 . . . . 0.0 110.445 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.77 -7.55 51.16 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.19 -0.319 . . . . 0.0 110.413 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -113.87 7.76 17.1 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.967 0.907 . . . . 0.0 110.748 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -69.25 131.32 44.7 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 -99.46 -14.49 19.08 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.64 21.06 77.72 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.554 -0.619 . . . . 0.0 111.554 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -68.37 -10.31 54.16 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.119 0.568 . . . . 0.0 111.367 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.9 t -157.55 174.12 15.85 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.207 1.003 . . . . 0.0 109.088 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.5 155.62 11.86 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 122.806 0.442 . . . . 0.0 110.013 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.24 -33.56 76.1 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -172.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -72.42 -25.18 61.38 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.959 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.1 m -65.54 -35.59 81.29 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -81.99 -33.6 30.07 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.254 0.622 . . . . 0.0 110.492 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -33.93 71.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -64.8 -42.22 95.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -68.06 -33.89 75.41 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-O 119.579 -0.248 . . . . 0.0 111.438 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.5 mt -74.99 -37.44 41.14 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.143 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.84 74.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.97 -34.69 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.173 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -78.39 -23.11 46.95 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 119.403 -0.332 . . . . 0.0 110.859 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.5 m -74.74 -38.66 62.2 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 118.755 0.707 . . . . 0.0 109.318 175.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.79 -31.06 61.63 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.368 -0.208 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -81.77 -28.01 33.47 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 122.136 -0.353 . . . . 0.0 111.295 178.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -73.54 -21.14 60.46 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 118.068 0.394 . . . . 0.0 110.193 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -75.86 -31.92 59.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.563 0.345 . . . . 0.0 111.062 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.71 -28.41 62.65 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.181 -0.324 . . . . 0.0 111.402 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 C--N 1.337 0.046 0 CA-C-N 117.809 0.277 . . . . 0.0 111.509 178.871 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.8 p . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 120.979 0.419 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.17 -14.95 28.87 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.587 0.355 . . . . 0.0 111.58 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -72.31 -43.38 64.27 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.779 -0.575 . . . . 0.0 110.747 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.1 m -84.47 -24.34 7.4 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 O-C-N 122.007 -0.433 . . . . 0.0 110.501 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.5 tp -77.07 -28.85 54.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.878 -0.146 . . . . 0.0 110.729 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.9 t -76.95 -36.68 25.68 Favored 'Isoleucine or valine' 0 C--O 1.23 0.074 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -70.94 -26.15 63.05 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 121.882 -0.511 . . . . 0.0 110.193 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -75.87 -28.05 58.01 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.604 0.361 . . . . 0.0 110.918 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.43 -28.89 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 CA-C-N 117.94 0.336 . . . . 0.0 110.188 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -70.96 -15.49 62.59 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.162 0.437 . . . . 0.0 109.99 174.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -78.44 -2.23 37.47 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.917 0.487 . . . . 0.0 110.63 173.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.05 10.04 63.04 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 123.357 0.503 . . . . 0.0 112.632 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -81.45 112.52 18.78 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.047 0.924 . . . . 0.0 110.503 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -80.08 -27.79 39.22 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.475 0.31 . . . . 0.0 110.913 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.633 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.8 mmpt? -66.6 -32.18 73.35 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.19 -28.82 62.41 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.768 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -75.45 -34.2 60.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.861 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -59.57 -37.51 78.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.1 -0.375 . . . . 0.0 110.772 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.62 -23.62 58.73 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.378 0.536 . . . . 0.0 110.359 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.6 tp -75.78 -28.8 58.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.6 t -72.12 -46.18 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.3 -23.39 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 117.811 0.278 . . . . 0.0 110.818 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -72.28 -38.85 68.71 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.018 0.527 . . . . 0.0 111.586 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -114.37 -1.19 13.58 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -174.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -58.75 -30.96 67.9 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 119.418 1.008 . . . . 0.0 112.96 -174.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -86.93 -27.19 23.5 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.549 0.613 . . . . 0.0 111.249 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -80.46 -34.75 35.71 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.33 0.252 . . . . 0.0 110.412 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 p -79.56 -29.07 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.37 -25.23 64.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.177 -0.327 . . . . 0.0 110.341 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.7 m -79.45 -21.85 44.93 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.937 0.495 . . . . 0.0 110.267 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 tp -84.86 -45.63 12.09 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.9 m -77.19 -22.24 14.47 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.04 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.543 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.8 p -62.24 -14.57 39.71 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.772 0.26 . . . . 0.0 110.954 177.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -78.4 -9.82 59.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.319 0.648 . . . . 0.0 111.332 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -126.74 -14.67 5.63 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.63 152.93 75.46 Favored Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 118.37 0.532 . . . . 0.0 110.599 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -69.94 160.41 49.75 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.466 2.778 . . . . 0.0 109.797 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.5 m -59.2 -15.25 13.96 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.573 0.749 . . . . 0.0 112.828 -175.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.4 -15.14 80.5 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-O 119.394 -0.67 . . . . 0.0 112.491 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -118.73 -4.76 10.71 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 117.962 0.881 . . . . 0.0 112.144 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.443 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 56.1 t -57.45 -50.19 89.57 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.333 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.9 Cg_endo -67.16 -22.03 47.64 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 121.491 1.46 . . . . 0.0 111.982 -174.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -84.5 -31.77 24.31 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 118.15 0.432 . . . . 0.0 110.694 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 73.7 t -80.88 -29.62 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 C-N-CA 122.357 0.263 . . . . 0.0 110.374 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.7 t -72.2 -38.12 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 176.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -73.25 -27.06 61.37 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.311 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -78.53 -24.14 45.87 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.123 -0.36 . . . . 0.0 110.286 176.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.69 -30.5 56.74 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 122.263 -0.273 . . . . 0.0 111.302 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -82.55 -34.92 27.65 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 118.06 0.391 . . . . 0.0 110.922 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.64 -28.48 27.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 118.516 0.598 . . . . 0.0 110.095 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -75.31 -31.63 60.72 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.31 -32.9 64.88 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.65 -40.14 96.12 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.214 0.461 . . . . 0.0 111.527 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -85.61 -9.95 56.53 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.36 -7.44 14.8 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 tt -73.59 -19.99 60.73 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 122.653 0.381 . . . . 0.0 110.746 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.38 -8.54 55.55 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.084 -0.385 . . . . 0.0 110.2 174.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 m -114.85 6.08 15.35 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.043 0.937 . . . . 0.0 111.082 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -68.04 131.3 45.2 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -99.41 -17.45 17.97 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.94 22.72 68.18 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.87 -9.33 43.81 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.148 0.579 . . . . 0.0 110.716 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.0 t -156.53 173.19 17.28 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.212 1.005 . . . . 0.0 108.834 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.69 154.51 11.53 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -62.65 -34.38 76.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 121.815 -0.553 . . . . 0.0 112.36 -172.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -75.62 -19.6 59.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 119.961 -0.696 . . . . 0.0 111.752 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.8 m -69.23 -34.64 75.14 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 76.0 t90 -82.3 -29.03 31.37 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.166 0.586 . . . . 0.0 110.751 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.44 -40.19 62.11 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -62.44 -37.73 87.0 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -68.5 -36.93 79.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.684 0.794 . . . . 0.0 111.059 -177.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.4 mt -77.42 -37.01 24.49 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.148 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.76 82.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -175.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.431 HG22 ' HE2' ' A' ' 83' ' ' LYS . 9.0 p -72.86 -36.54 52.29 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.885 177.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -76.64 -18.3 58.67 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 119.432 -0.318 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.4 m -79.78 -38.59 32.77 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 118.73 0.695 . . . . 0.0 109.496 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.07 -31.49 62.86 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.295 -0.253 . . . . 0.0 110.731 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.431 ' HE2' HG22 ' A' ' 79' ' ' VAL . 47.8 mtmt -76.45 -30.81 57.5 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 121.834 -0.541 . . . . 0.0 110.746 176.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -71.73 -22.43 61.62 Favored 'General case' 0 CA--C 1.527 0.078 0 CA-C-N 118.022 0.374 . . . . 0.0 110.107 176.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -76.02 -26.53 56.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.346 0.258 . . . . 0.0 110.897 177.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.4 mt -81.2 -21.21 39.78 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.665 -0.647 . . . . 0.0 112.192 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 CA--C 1.523 -0.076 0 CA-C-N 118.054 0.388 . . . . 0.0 111.229 178.072 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.866 0.365 . . . . 0.0 110.483 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.75 -14.81 35.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.132 -0.355 . . . . 0.0 111.702 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -73.67 -44.94 55.36 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.703 -0.623 . . . . 0.0 110.489 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.8 m -84.17 -23.24 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-N 117.804 0.274 . . . . 0.0 110.692 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.6 tp -77.7 -28.6 51.0 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.9 t -76.04 -38.24 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -66.37 -29.04 69.13 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -79.16 -30.12 43.39 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.333 0.253 . . . . 0.0 111.353 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.9 t -76.28 -37.78 32.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-N 118.162 0.437 . . . . 0.0 111.291 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -76.07 -15.17 60.16 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.31 0.504 . . . . 0.0 111.291 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -79.3 2.84 19.96 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.777 0.431 . . . . 0.0 111.641 170.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.23 5.62 40.13 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-O 119.03 -0.872 . . . . 0.0 114.827 171.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -85.38 109.84 18.71 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.945 1.372 . . . . 0.0 110.344 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -80.24 -29.18 38.4 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 121.947 -0.471 . . . . 0.0 111.115 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.61 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.8 mmpt? -71.27 -30.99 66.96 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.89 -26.93 67.85 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -75.67 -31.07 59.6 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.49 -35.28 79.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 122.135 -0.353 . . . . 0.0 110.335 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.22 -26.22 60.12 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 122.239 -0.288 . . . . 0.0 110.325 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.7 tp -75.24 -28.24 59.79 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.425 0.29 . . . . 0.0 110.242 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.8 t -72.35 -45.41 60.62 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.3 t -64.62 -23.7 33.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 O-C-N 122.202 -0.311 . . . . 0.0 110.685 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -72.58 -37.71 68.09 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.264 0.625 . . . . 0.0 111.903 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -114.68 -1.4 13.32 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -175.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -58.85 -32.16 69.18 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 119.338 0.972 . . . . 0.0 113.044 -173.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -86.74 -26.69 24.07 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.024 0.375 . . . . 0.0 111.01 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -81.54 -33.27 31.86 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.558 0.343 . . . . 0.0 110.609 -177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.8 p -79.8 -29.33 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.77 -28.57 66.91 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.083 -0.385 . . . . 0.0 110.854 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.5 m -78.33 -22.32 48.26 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.205 0.202 . . . . 0.0 110.689 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.5 tp -82.24 -43.84 17.09 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-O 119.39 -0.338 . . . . 0.0 111.686 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.2 m -78.41 -20.24 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.05 0 CA-C-N 118.75 0.705 . . . . 0.0 111.186 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.5 t -61.69 -16.14 46.4 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.714 0.292 . . . . 0.0 110.528 176.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -78.88 -12.35 60.03 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.081 0.552 . . . . 0.0 111.448 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.94 -13.37 5.77 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.42 154.59 77.05 Favored Pre-proline 0 N--CA 1.463 0.21 0 CA-C-N 118.709 0.686 . . . . 0.0 111.2 176.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -58.85 156.27 33.97 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.628 2.885 . . . . 0.0 111.011 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.3 p -62.24 -17.94 59.79 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.58 -13.14 83.52 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 119.595 -0.558 . . . . 0.0 112.149 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -117.0 -4.49 11.5 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.044 0.922 . . . . 0.0 111.839 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.435 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 46.6 t -58.24 -51.19 83.62 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-O 118.281 -0.866 . . . . 0.0 112.002 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 59.9 Cg_endo -66.83 -23.1 48.33 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 121.546 1.497 . . . . 0.0 112.12 -174.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -84.39 -31.95 24.43 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 117.97 0.35 . . . . 0.0 110.774 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.2 t -81.8 -29.19 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 122.427 0.291 . . . . 0.0 110.305 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.2 t -70.32 -38.65 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -71.59 -28.08 63.58 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.314 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.28 -24.62 46.71 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 122.171 -0.331 . . . . 0.0 110.258 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.57 -30.79 52.74 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.257 -0.277 . . . . 0.0 111.214 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -80.56 -34.38 35.41 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 117.905 0.32 . . . . 0.0 110.847 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.86 -29.66 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 118.598 0.636 . . . . 0.0 110.502 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -73.3 -32.25 64.51 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.79 -35.19 62.52 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.26 -37.6 83.7 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 118.279 0.49 . . . . 0.0 111.509 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -90.5 -9.93 45.47 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.45 -6.25 15.5 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 tt -73.41 -22.99 60.09 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.183 0.593 . . . . 0.0 111.146 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.31 -10.16 56.57 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.06 -0.4 . . . . 0.0 110.568 176.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.5 m -109.18 6.9 25.18 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.861 0.864 . . . . 0.0 110.915 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -67.75 132.1 46.8 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -99.55 -16.34 18.32 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.43 22.1 71.12 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -68.53 -9.13 47.22 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.048 0.539 . . . . 0.0 111.051 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.7 t -157.4 174.15 15.84 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.03 0.932 . . . . 0.0 108.833 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.47 155.06 12.73 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -63.71 -33.19 75.1 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -173.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -74.46 -22.59 59.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 120.0 -0.68 . . . . 0.0 111.321 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 m -67.91 -33.86 75.53 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -82.05 -33.82 29.74 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.24 0.616 . . . . 0.0 110.482 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.69 -35.09 72.62 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -64.41 -39.78 94.51 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.867 0.467 . . . . 0.0 110.061 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -67.59 -36.63 81.24 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 117.431 0.105 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.6 mt -74.67 -36.23 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.75 73.8 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 117.891 0.314 . . . . 0.0 111.746 -175.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.3 p -72.72 -32.61 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 CA-C-N 118.146 0.43 . . . . 0.0 110.061 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -82.53 -22.03 35.16 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.411 -0.328 . . . . 0.0 111.202 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.5 m -75.85 -38.97 57.46 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 118.85 0.75 . . . . 0.0 109.308 175.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.65 -28.15 58.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 122.279 -0.263 . . . . 0.0 110.836 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -81.65 -32.36 31.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.015 -0.428 . . . . 0.0 110.884 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -71.64 -21.1 61.87 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -74.63 -27.29 60.38 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 122.226 -0.296 . . . . 0.0 110.737 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.45 -21.14 53.41 Favored 'General case' 0 C--N 1.338 0.108 0 O-C-N 121.831 -0.543 . . . . 0.0 112.279 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.227 -0.129 0 CA-C-N 118.419 0.554 . . . . 0.0 111.162 176.542 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.7 p . . . . . 0 CA--C 1.528 0.118 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -64.58 -17.97 64.45 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 121.93 -0.481 . . . . 0.0 111.155 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -76.35 -46.82 25.77 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.151 -0.343 . . . . 0.0 110.543 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.96 -27.02 10.9 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 CA-C-N 117.891 0.314 . . . . 0.0 110.678 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.0 tp -70.98 -27.52 63.77 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.1 t -77.88 -34.52 19.71 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 O-C-N 122.33 -0.231 . . . . 0.0 110.469 175.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.79 -29.64 68.87 Favored 'General case' 0 C--N 1.337 0.059 0 O-C-N 121.83 -0.544 . . . . 0.0 109.884 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -71.53 -31.63 67.26 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -74.4 -29.46 24.24 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -71.38 -15.43 62.37 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.235 0.47 . . . . 0.0 110.889 176.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -84.32 4.62 30.32 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.666 0.387 . . . . 0.0 111.149 173.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.94 7.25 64.51 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-O 119.451 -0.638 . . . . 0.0 112.868 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -79.7 108.19 13.05 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 118.261 1.03 . . . . 0.0 109.94 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -80.16 -25.05 39.97 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.225 -0.297 . . . . 0.0 110.467 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.625 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -73.15 -30.37 63.54 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 122.093 -0.379 . . . . 0.0 110.167 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.79 -28.33 67.5 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -74.43 -30.45 61.91 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.831 -0.347 . . . . 0.0 110.092 177.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -65.67 -36.14 82.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.834 -0.541 . . . . 0.0 110.28 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.63 -26.95 61.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.4 tp -75.39 -29.5 59.85 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.685 0.394 . . . . 0.0 110.133 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.5 t -72.08 -46.18 59.97 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.098 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.79 -23.7 33.99 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 O-C-N 122.252 -0.28 . . . . 0.0 110.537 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -75.55 -32.77 60.56 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.779 0.432 . . . . 0.0 111.803 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -116.19 -2.74 12.11 Favored 'General case' 0 C--O 1.228 -0.059 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -59.04 -31.9 69.26 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 119.18 0.9 . . . . 0.0 112.87 -172.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.2 p-80 -85.44 -27.03 26.0 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.115 0.416 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -81.52 -34.79 31.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.6 p -78.68 -29.89 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 110.537 -0.172 . . . . 0.0 110.537 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.0 -26.75 66.06 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.3 m -79.31 -22.01 45.18 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 122.688 0.395 . . . . 0.0 110.853 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.9 tp -83.5 -43.33 15.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.804 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 m -80.49 -21.45 11.47 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.059 0 CA-C-N 118.777 0.717 . . . . 0.0 111.639 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.9 p -63.38 -15.6 57.99 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.102 0.41 . . . . 0.0 110.862 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -75.56 -11.6 60.05 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.141 0.576 . . . . 0.0 110.904 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -126.95 -13.16 5.8 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -174.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.6 m -137.07 155.43 76.13 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 118.633 0.651 . . . . 0.0 111.31 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 157.41 35.13 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.613 2.875 . . . . 0.0 110.97 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.1 p -62.1 -18.54 61.09 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 111.628 0.232 . . . . 0.0 111.628 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.67 -12.96 83.68 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.523 -0.599 . . . . 0.0 112.324 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -117.9 -3.93 11.14 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.07 0.935 . . . . 0.0 111.957 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.444 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.9 t -58.01 -50.54 87.54 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.724 177.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.5 Cg_endo -66.59 -22.72 50.57 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 CA-C-N 120.709 1.289 . . . . 0.0 111.865 -175.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -82.6 -32.6 28.32 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.012 -0.43 . . . . 0.0 110.633 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 77.6 t -82.57 -27.8 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 122.621 0.368 . . . . 0.0 110.539 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.0 t -72.55 -34.98 49.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -74.48 -21.09 59.75 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 121.177 -0.209 . . . . 0.0 110.534 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -84.73 -21.25 30.15 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.048 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.24 -34.56 28.79 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 122.166 -0.334 . . . . 0.0 111.461 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -80.59 -32.85 36.34 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 118.097 0.408 . . . . 0.0 110.92 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.16 -28.3 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -74.63 -31.79 62.1 Favored 'General case' 0 C--N 1.339 0.115 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.48 -35.7 63.28 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -62.95 -37.56 87.54 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.15 0.432 . . . . 0.0 111.44 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -87.92 -9.81 52.49 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.18 -6.85 15.42 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 177.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 tt -74.72 -18.89 60.43 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.56 0.744 . . . . 0.0 111.074 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.41 -8.76 53.31 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.225 -0.297 . . . . 0.0 110.414 175.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.4 m -114.94 8.58 15.91 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.864 0.866 . . . . 0.0 111.159 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -67.58 131.8 46.33 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -99.45 -18.57 17.39 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 123.154 0.582 . . . . 0.0 112.499 -174.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.15 21.23 74.03 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -69.38 -7.91 41.77 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.34 0.656 . . . . 0.0 111.368 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.3 t -158.05 173.08 17.29 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.0 0.92 . . . . 0.0 109.272 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.45 152.66 21.08 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.78 -33.3 75.36 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -172.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -73.46 -22.16 60.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.822 0.737 . . . . 0.0 111.151 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.6 m -68.56 -34.3 75.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -81.95 -32.07 30.94 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.169 0.587 . . . . 0.0 110.227 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.23 -35.52 71.49 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -64.18 -39.77 94.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -67.31 -36.44 81.5 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-O 119.714 -0.184 . . . . 0.0 110.764 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.15 -38.11 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.77 -40.25 79.79 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 118.097 0.408 . . . . 0.0 111.904 -174.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.33 -34.66 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.049 0 CA-C-N 118.177 0.444 . . . . 0.0 110.413 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -80.4 -16.87 53.46 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.25 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.5 m -82.63 -39.6 21.92 Favored 'General case' 0 CA--C 1.523 -0.083 0 CA-C-N 118.422 0.555 . . . . 0.0 109.524 174.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.73 -30.84 64.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 122.44 -0.163 . . . . 0.0 110.817 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -81.06 -27.03 35.88 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.269 -0.269 . . . . 0.0 111.278 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -75.14 -23.18 57.78 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -74.13 -32.34 63.13 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 121.876 -0.515 . . . . 0.0 110.905 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.99 -30.34 65.14 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.039 -0.413 . . . . 0.0 111.332 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.1 m . . . . . 0 N--CA 1.46 0.065 0 CA-C-N 117.715 0.234 . . . . 0.0 111.37 -179.147 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.826 0.346 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.08 -14.87 53.6 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.242 -0.286 . . . . 0.0 111.078 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -52.31 14.01 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 m -77.15 -25.99 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 117.842 0.292 . . . . 0.0 110.838 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.1 tp -74.18 -28.37 61.26 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.0 t -77.55 -35.12 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 175.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -70.74 -28.53 64.78 Favored 'General case' 0 C--N 1.338 0.074 0 O-C-N 121.91 -0.494 . . . . 0.0 110.523 176.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -72.51 -30.29 64.36 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 122.29 -0.256 . . . . 0.0 110.473 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.5 t -75.31 -28.43 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -72.09 -15.74 62.01 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.024 -0.422 . . . . 0.0 110.893 176.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -83.98 4.3 30.39 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.49 0.316 . . . . 0.0 110.93 173.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.47 6.88 63.91 Favored Glycine 0 CA--C 1.527 0.833 0 CA-C-O 119.768 -0.462 . . . . 0.0 112.848 175.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -78.76 108.76 12.43 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.249 1.024 . . . . 0.0 109.66 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -80.12 -26.84 39.3 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.625 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.6 mmpt? -72.3 -30.17 64.54 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.37 67.84 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -74.8 -29.92 61.25 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -65.84 -35.33 80.37 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 122.054 -0.404 . . . . 0.0 110.273 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.36 -25.25 59.4 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 122.02 -0.425 . . . . 0.0 109.926 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -76.38 -29.68 57.22 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.3 t -71.51 -46.1 65.06 Favored 'Isoleucine or valine' 0 C--N 1.339 0.123 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.9 t -64.32 -23.79 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 CA-C-N 117.775 0.261 . . . . 0.0 110.429 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -75.69 -32.73 60.22 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.606 0.362 . . . . 0.0 111.596 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -115.55 -2.86 12.42 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -59.85 -30.61 69.08 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.652 1.115 . . . . 0.0 113.027 -173.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -85.4 -27.65 25.65 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 118.097 0.408 . . . . 0.0 110.888 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -82.12 -33.34 29.73 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.494 0.318 . . . . 0.0 110.557 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 p -80.99 -29.33 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.38 -26.47 65.58 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.172 -0.33 . . . . 0.0 110.254 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 m -79.25 -22.4 44.82 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.516 0.326 . . . . 0.0 110.33 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.3 tp -84.22 -43.39 14.94 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.446 0.298 . . . . 0.0 111.743 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 m -78.97 -21.22 12.75 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.375 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.4 t -61.34 -15.58 37.39 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 122.257 -0.277 . . . . 0.0 110.929 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -80.22 -10.46 59.76 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.347 0.659 . . . . 0.0 111.41 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -127.1 -14.1 5.54 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.0 m -137.14 154.67 75.97 Favored Pre-proline 0 N--CA 1.461 0.122 0 CA-C-N 118.403 0.547 . . . . 0.0 110.264 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.94 161.1 47.25 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.254 2.636 . . . . 0.0 109.889 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.8 p -60.26 -18.83 51.71 Favored 'General case' 0 CA--C 1.526 0.055 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.27 -14.41 82.36 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 119.276 -0.735 . . . . 0.0 112.487 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -118.45 -6.95 10.72 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 117.997 0.898 . . . . 0.0 112.143 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.441 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 49.9 t -55.95 -50.86 84.81 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-O 118.291 -0.861 . . . . 0.0 112.217 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.4 Cg_endo -66.51 -22.45 51.53 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 121.579 1.519 . . . . 0.0 111.95 -173.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -86.21 -29.59 23.06 Favored 'General case' 0 C--N 1.335 -0.042 0 CA-C-N 118.045 0.384 . . . . 0.0 111.088 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.6 t -81.81 -31.01 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -69.91 -37.06 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -72.54 -26.35 61.71 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.763 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -81.73 -25.42 35.41 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.89 -31.5 59.25 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.133 0.173 . . . . 0.0 111.211 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -81.93 -33.89 30.13 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.02 0.373 . . . . 0.0 110.812 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.5 -29.64 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 118.741 0.701 . . . . 0.0 109.925 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -71.73 -34.41 69.53 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.68 -33.2 62.42 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.265 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -62.35 -39.8 94.3 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 118.009 0.368 . . . . 0.0 111.56 -176.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -92.91 -8.21 43.94 Favored 'General case' 0 C--N 1.339 0.127 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -103.77 -8.65 19.66 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.115 0.416 . . . . 0.0 111.915 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.7 tt -75.29 -18.41 60.06 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.708 0.803 . . . . 0.0 111.207 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.9 -8.86 52.2 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 122.286 -0.258 . . . . 0.0 110.539 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.7 m -114.86 7.14 15.64 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.006 0.922 . . . . 0.0 111.05 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -67.75 129.83 41.13 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -99.5 -15.96 18.49 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.07 22.29 71.67 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -69.22 -7.76 39.63 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.141 0.577 . . . . 0.0 110.96 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.5 t -156.9 172.02 19.39 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.112 0.965 . . . . 0.0 108.947 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.18 153.67 21.55 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -63.95 -33.38 75.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.634 -0.426 . . . . 0.0 112.074 -173.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -71.18 -23.48 62.05 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.677 0.671 . . . . 0.0 110.978 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.4 m -69.63 -34.41 74.02 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -82.27 -29.96 30.9 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 122.997 0.519 . . . . 0.0 110.722 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.16 -40.84 62.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.42 -40.83 97.81 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -65.25 -38.02 89.03 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.446 0.699 . . . . 0.0 111.017 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.2 mt -77.51 -36.37 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.55 -37.91 80.35 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.904 0.32 . . . . 0.0 111.755 -175.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.9 p -74.41 -33.73 34.25 Favored 'Isoleucine or valine' 0 C--N 1.337 0.037 0 CA-C-N 118.336 0.516 . . . . 0.0 110.139 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -78.98 -17.06 56.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 119.434 -0.317 . . . . 0.0 110.985 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.9 m -84.97 -38.65 19.02 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 118.325 0.511 . . . . 0.0 110.164 176.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.25 -28.95 61.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 122.34 -0.225 . . . . 0.0 111.139 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -80.27 -31.64 38.31 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.047 -0.408 . . . . 0.0 110.679 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -76.01 -19.15 58.92 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.068 0.461 . . . . 0.0 109.903 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -74.46 -30.07 61.72 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 121.865 -0.522 . . . . 0.0 110.521 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.12 -38.42 69.29 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.015 0.371 . . . . 0.0 111.221 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 C--N 1.339 0.111 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.609 178.586 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.8 p . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 121.113 0.482 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -66.78 -14.57 62.77 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 122.225 -0.297 . . . . 0.0 111.482 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -72.61 -43.23 63.58 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.043 -0.41 . . . . 0.0 110.511 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.4 p -81.8 -24.23 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 118.027 0.376 . . . . 0.0 110.252 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.2 tp -71.65 -28.1 63.52 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.2 t -75.7 -35.48 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.18 -29.04 66.94 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-N 118.401 0.546 . . . . 0.0 110.233 177.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -72.83 -29.95 63.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 122.311 -0.243 . . . . 0.0 110.65 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.3 t -75.64 -27.78 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -71.92 -15.95 62.1 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.969 0.349 . . . . 0.0 110.621 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -83.45 4.73 26.47 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.507 0.323 . . . . 0.0 110.94 172.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.19 10.47 68.62 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-O 119.615 -0.547 . . . . 0.0 112.892 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -77.53 114.56 16.49 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.187 0.994 . . . . 0.0 110.097 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -80.05 -26.93 39.5 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.695 0.398 . . . . 0.0 111.347 -179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.6 mmpt? -77.87 -30.24 50.78 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -177.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.53 -29.19 68.53 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -76.2 -31.94 58.71 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -62.3 -36.67 82.84 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 117.982 0.355 . . . . 0.0 110.508 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.77 -32.06 69.06 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.0 tp -71.42 -29.61 65.1 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.434 0.294 . . . . 0.0 110.482 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.3 t -72.04 -39.54 66.14 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -67.73 -24.21 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 O-C-N 122.053 -0.404 . . . . 0.0 110.477 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -75.0 -32.72 61.72 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-O 119.259 -0.4 . . . . 0.0 111.577 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -115.48 0.22 13.29 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 -175.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -60.99 -28.6 69.14 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.569 1.077 . . . . 0.0 112.89 -175.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -85.23 -26.33 26.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.385 0.538 . . . . 0.0 110.597 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.698 ' HE2' ' CZ ' ' A' ' 71' ' ' TYR . 2.4 tmtm? -74.51 -44.71 50.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.536 0.735 . . . . 0.0 110.646 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.405 HG11 ' CE2' ' A' ' 54' ' ' PHE . 11.5 p -74.11 -32.85 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.081 -177.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.98 -25.81 65.61 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.526 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.8 m -82.07 -21.53 36.8 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.046 0.539 . . . . 0.0 110.891 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -87.96 -39.78 14.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.675 0.39 . . . . 0.0 111.453 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -81.36 -23.7 10.33 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 CA-C-N 118.503 0.592 . . . . 0.0 111.094 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 99.0 p -62.27 -15.35 46.84 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.056 0.389 . . . . 0.0 110.696 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 -78.35 -8.57 58.59 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.415 0.686 . . . . 0.0 111.269 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -126.79 -17.86 4.86 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.7 m -133.65 153.59 80.24 Favored Pre-proline 0 CA--C 1.527 0.094 0 CA-C-N 118.551 0.614 . . . . 0.0 111.006 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.29 162.16 42.95 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.23 2.62 . . . . 0.0 109.825 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.7 p -59.92 -17.98 41.49 Favored 'General case' 0 C--N 1.338 0.086 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -174.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.38 -15.65 81.32 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.499 -0.611 . . . . 0.0 112.607 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -118.58 -5.88 10.71 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.669 0.734 . . . . 0.0 112.155 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.451 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.4 t -56.85 -50.1 90.03 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.903 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.5 Cg_endo -67.32 -22.54 45.88 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 121.402 1.401 . . . . 0.0 112.248 -175.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -82.39 -34.44 28.34 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.262 0.483 . . . . 0.0 110.458 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.7 t -79.04 -28.51 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 122.506 0.322 . . . . 0.0 110.195 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.6 t -72.73 -33.59 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.25 -24.24 60.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 119.565 -0.255 . . . . 0.0 111.067 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -81.87 -28.76 32.8 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 118.733 0.697 . . . . 0.0 110.094 174.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.04 75.77 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 121.876 -0.515 . . . . 0.0 111.364 -176.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CE2' HG11 ' A' ' 33' ' ' VAL . 34.9 m-85 -84.29 -32.39 24.39 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 118.219 0.463 . . . . 0.0 111.124 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.09 -30.45 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-N 118.723 0.692 . . . . 0.0 110.002 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -74.45 -32.16 62.51 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.89 -33.63 64.1 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 119.625 -0.226 . . . . 0.0 110.523 176.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -64.3 -37.89 89.1 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 118.418 0.554 . . . . 0.0 111.326 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -87.47 -10.82 50.8 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -106.92 -7.36 17.08 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 tt -74.41 -20.08 60.18 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.359 0.664 . . . . 0.0 110.822 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.99 -8.19 53.09 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.099 -0.376 . . . . 0.0 110.315 174.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.6 m -114.67 12.55 17.18 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.13 0.972 . . . . 0.0 111.225 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -64.93 131.45 46.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 -99.69 -18.44 17.27 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 122.963 0.505 . . . . 0.0 111.993 -173.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.52 20.87 79.91 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 112.082 -0.407 . . . . 0.0 112.082 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -68.76 -10.31 55.82 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 117.521 0.661 . . . . 0.0 111.03 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.7 t -154.72 173.27 16.64 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.256 1.022 . . . . 0.0 108.469 175.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.15 153.56 17.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -62.67 -31.48 72.38 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 122.193 -0.317 . . . . 0.0 111.803 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.698 ' CZ ' ' HE2' ' A' ' 32' ' ' LYS . 62.0 t80 -70.32 -31.18 68.37 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.066 0.394 . . . . 0.0 111.095 -178.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.0 m -64.76 -34.73 79.02 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -81.99 -34.79 29.49 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.695 0.798 . . . . 0.0 111.107 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -35.74 81.97 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -66.85 -41.8 86.76 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.331 -0.366 . . . . 0.0 111.191 -177.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -62.86 -41.95 99.57 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 118.514 0.597 . . . . 0.0 111.191 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.9 mt -69.55 -35.19 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.71 85.22 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -175.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.0 p -76.42 -35.36 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 118.287 0.494 . . . . 0.0 110.35 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -77.35 -17.05 58.58 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 122.265 -0.272 . . . . 0.0 111.082 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.9 m -80.68 -38.46 28.96 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 118.368 0.531 . . . . 0.0 109.69 174.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.0 -29.15 60.8 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.349 -0.22 . . . . 0.0 110.984 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -79.94 -28.53 39.67 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.131 0.423 . . . . 0.0 110.789 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -73.36 -21.63 60.48 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -75.56 -29.9 59.52 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 119.559 -0.258 . . . . 0.0 110.678 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.5 mt -77.66 -32.44 53.2 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 118.13 0.423 . . . . 0.0 111.91 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.456 -0.148 0 CA-C-N 118.42 0.555 . . . . 0.0 110.02 176.761 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.1 p . . . . . 0 C--O 1.227 -0.082 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.19 -17.45 62.42 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.678 -0.638 . . . . 0.0 111.415 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -76.61 -51.52 11.44 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.976 -0.452 . . . . 0.0 110.357 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.34 -28.11 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.048 0 CA-C-N 117.662 0.21 . . . . 0.0 110.625 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp -72.26 -28.9 63.43 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.7 t -77.12 -35.28 22.72 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 CA-C-O 119.42 -0.324 . . . . 0.0 110.758 175.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.52 -29.42 68.82 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 118.355 0.525 . . . . 0.0 110.307 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -80.09 -28.53 39.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.02 0.528 . . . . 0.0 111.71 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.75 -41.46 47.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 118.055 0.389 . . . . 0.0 110.914 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -74.26 -14.83 60.97 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.652 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -69.68 -10.77 59.59 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.687 0.795 . . . . 0.0 110.655 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.52 5.89 36.24 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.191 -0.783 . . . . 0.0 113.107 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -80.14 117.31 20.83 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.609 1.204 . . . . 0.0 110.377 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -80.62 -27.45 37.29 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 122.572 0.349 . . . . 0.0 111.602 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.596 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.9 mmpt? -78.08 -29.5 49.17 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -176.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -26.89 66.95 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -80.41 -36.24 34.03 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.002 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -62.17 -31.78 72.32 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.913 -0.492 . . . . 0.0 110.003 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mp -78.37 -28.07 46.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 tp -75.57 -31.17 59.9 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.813 0.445 . . . . 0.0 110.297 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.9 t -68.57 -48.83 70.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.64 -23.85 28.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 117.665 0.211 . . . . 0.0 110.59 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -65.84 -35.22 80.05 Favored 'General case' 0 N--CA 1.457 -0.122 0 O-C-N 122.149 -0.344 . . . . 0.0 110.966 178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -114.26 0.09 14.06 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -57.72 -40.64 80.07 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 118.785 0.721 . . . . 0.0 112.304 -173.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -81.58 -24.22 36.63 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 121.953 -0.467 . . . . 0.0 110.876 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -83.19 -36.42 24.68 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 122.393 0.277 . . . . 0.0 110.964 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 p -76.78 -27.77 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.19 -33.55 75.63 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.4 m -74.62 -22.05 59.13 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 122.22 0.208 . . . . 0.0 110.843 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.1 tp -82.31 -42.54 18.64 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 119.168 -0.444 . . . . 0.0 111.582 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 m -79.01 -21.57 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.038 0 CA-C-N 118.959 0.8 . . . . 0.0 111.324 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.9 m -60.03 -15.5 23.29 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.097 0.408 . . . . 0.0 111.037 176.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -81.26 -10.7 59.54 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 123.085 0.554 . . . . 0.0 111.52 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.4 ' CE2' HG23 ' A' ' 79' ' ' VAL . 39.5 m-85 -127.06 -13.21 5.73 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -136.87 153.34 75.46 Favored Pre-proline 0 N--CA 1.463 0.223 0 CA-C-N 118.399 0.545 . . . . 0.0 110.729 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -70.09 160.92 47.9 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 123.642 2.895 . . . . 0.0 109.814 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.8 p -59.63 -17.14 31.12 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -174.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.17 -15.6 81.3 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 119.507 -0.607 . . . . 0.0 112.371 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -118.52 -6.01 10.73 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.839 0.82 . . . . 0.0 112.316 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.414 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 71.3 t -57.01 -51.89 78.24 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-O 118.381 -0.819 . . . . 0.0 112.097 -178.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.3 Cg_endo -67.55 -22.96 43.81 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 CA-C-N 120.842 1.337 . . . . 0.0 112.057 -174.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -84.11 -31.87 25.03 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.175 -0.328 . . . . 0.0 110.836 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.6 t -81.49 -29.11 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.053 0 C-N-CA 122.777 0.431 . . . . 0.0 109.995 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.24 -38.05 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -72.65 -28.11 62.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.36 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -78.63 -23.11 46.02 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.133 -0.355 . . . . 0.0 110.279 176.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.95 -30.92 56.26 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 119.606 -0.235 . . . . 0.0 111.364 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -82.95 -33.81 26.62 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 117.995 0.361 . . . . 0.0 110.973 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.87 -29.09 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 118.695 0.679 . . . . 0.0 110.274 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -74.81 -32.67 62.04 Favored 'General case' 0 C--N 1.34 0.162 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.16 -35.79 69.13 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -61.83 -37.93 86.3 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.174 0.443 . . . . 0.0 111.686 -177.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -87.99 -9.9 52.05 Favored 'General case' 0 N--CA 1.457 -0.081 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.73 -5.28 15.02 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.2 tt -75.3 -22.97 57.31 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.356 0.662 . . . . 0.0 111.505 -175.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -70.8 -8.41 52.26 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.938 -0.476 . . . . 0.0 110.067 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m -110.97 9.36 22.22 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.804 0.842 . . . . 0.0 110.929 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -67.17 133.72 50.35 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.6 mtt85 -99.64 -17.9 17.58 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -174.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.24 22.08 76.75 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -68.59 -9.06 47.27 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.217 0.607 . . . . 0.0 110.914 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.2 t -158.41 174.77 14.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.321 1.049 . . . . 0.0 109.271 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.36 155.58 14.43 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -64.31 -32.83 74.58 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 121.947 -0.47 . . . . 0.0 112.04 -173.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -71.5 -25.55 62.3 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.741 0.7 . . . . 0.0 111.078 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 m -66.51 -35.53 80.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -81.82 -33.93 30.48 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.029 0.532 . . . . 0.0 110.393 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.27 -34.65 75.08 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -65.15 -39.52 93.11 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -67.09 -36.71 82.55 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 117.875 0.307 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.7 mt -73.8 -38.07 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.1 75.97 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -175.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.4 HG23 ' CE2' ' A' ' 40' ' ' TYR . 9.3 p -72.41 -31.67 39.24 Favored 'Isoleucine or valine' 0 C--N 1.34 0.158 0 CA-C-N 118.154 0.434 . . . . 0.0 110.316 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -83.01 -22.16 33.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 119.428 -0.32 . . . . 0.0 111.272 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.5 m -75.02 -39.06 61.33 Favored 'General case' 0 N--CA 1.458 -0.065 0 CA-C-N 118.741 0.701 . . . . 0.0 109.613 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.72 -28.2 60.69 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -81.39 -31.31 33.31 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.273 -0.267 . . . . 0.0 110.548 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -71.95 -22.76 61.41 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -74.33 -29.48 61.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.234 -0.291 . . . . 0.0 110.968 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.48 -26.33 60.86 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 122.041 -0.412 . . . . 0.0 111.434 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.338 0.077 0 CA-C-N 117.973 0.352 . . . . 0.0 111.113 177.427 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p . . . . . 0 N--CA 1.456 -0.138 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -66.43 -15.16 63.11 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 121.968 -0.457 . . . . 0.0 111.361 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -77.95 -43.61 29.29 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.882 -0.511 . . . . 0.0 110.772 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -83.75 -24.46 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 122.272 0.229 . . . . 0.0 110.691 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.0 tp -78.9 -29.23 44.2 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.314 -0.241 . . . . 0.0 110.688 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 t -77.04 -37.97 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-O 119.557 -0.258 . . . . 0.0 110.866 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.94 -22.93 59.48 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.225 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -70.95 -31.55 68.16 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.8 t -73.27 -28.7 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -71.99 -15.21 62.05 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 117.895 0.316 . . . . 0.0 110.922 176.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -84.48 4.85 29.89 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.853 0.461 . . . . 0.0 111.163 173.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.52 8.13 64.35 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.647 -0.529 . . . . 0.0 113.104 176.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -79.93 109.06 14.01 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.264 1.032 . . . . 0.0 109.972 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -80.33 -26.37 38.77 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 122.238 -0.289 . . . . 0.0 110.63 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.627 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.3 mmpt? -71.84 -31.13 66.19 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 121.933 -0.479 . . . . 0.0 109.768 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -28.98 68.65 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -74.85 -31.03 61.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -64.33 -36.07 82.92 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.907 -0.496 . . . . 0.0 110.317 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.13 -25.28 59.67 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.3 tp -75.1 -30.05 60.79 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.0 t -71.52 -44.46 70.78 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.7 -23.75 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 O-C-N 122.19 -0.318 . . . . 0.0 110.49 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -73.66 -36.44 65.36 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.696 0.398 . . . . 0.0 111.855 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -114.6 -1.45 13.35 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -58.96 -30.68 68.08 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 119.263 0.938 . . . . 0.0 112.709 -174.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -87.12 -25.73 23.98 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 118.358 0.527 . . . . 0.0 111.023 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -82.69 -33.38 27.67 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.405 0.282 . . . . 0.0 110.508 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -80.85 -29.8 11.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.07 -27.65 65.82 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.7 m -78.29 -22.27 48.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.27 0.228 . . . . 0.0 110.595 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -81.5 -45.77 15.48 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 119.405 -0.331 . . . . 0.0 111.535 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 m -78.05 -21.32 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.066 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.136 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -62.28 -15.87 50.28 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 117.761 0.255 . . . . 0.0 110.641 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -79.04 -9.02 59.42 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.247 0.619 . . . . 0.0 111.035 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.451 ' CE2' HG23 ' A' ' 79' ' ' VAL . 61.4 m-85 -126.91 -19.69 4.38 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.1 m -133.24 153.63 80.75 Favored Pre-proline 0 N--CA 1.461 0.092 0 CA-C-N 118.386 0.539 . . . . 0.0 110.767 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.33 161.33 46.32 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 123.308 2.672 . . . . 0.0 109.899 177.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.0 p -59.3 -18.34 36.91 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.21 -14.94 81.82 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.611 -0.549 . . . . 0.0 112.556 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -118.89 -5.97 10.56 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.045 0.923 . . . . 0.0 111.866 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.445 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.4 t -57.36 -50.98 85.1 Favored Pre-proline 0 CA--C 1.53 0.181 0 CA-C-O 118.411 -0.804 . . . . 0.0 111.745 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.4 Cg_endo -66.72 -22.25 50.37 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 121.53 1.486 . . . . 0.0 111.693 -175.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -84.39 -31.89 24.46 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 117.97 0.35 . . . . 0.0 110.646 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.3 t -82.46 -28.3 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 C-N-CA 122.48 0.312 . . . . 0.0 110.404 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.6 t -73.01 -35.44 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -74.88 -20.4 59.75 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 110.518 -0.178 . . . . 0.0 110.518 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -85.09 -20.45 30.34 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.728 -0.607 . . . . 0.0 110.078 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.41 -35.25 25.19 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.184 -0.322 . . . . 0.0 111.48 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -80.42 -32.21 37.45 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 118.372 0.533 . . . . 0.0 111.169 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.55 -30.92 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 O-C-N 121.677 -0.639 . . . . 0.0 109.483 -178.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -72.28 -32.81 66.95 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.05 -33.27 61.71 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.509 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -62.12 -39.54 92.9 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 118.262 0.483 . . . . 0.0 111.234 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -92.54 -6.1 50.35 Favored 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.72 -8.18 16.16 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tt -73.26 -17.77 61.29 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 123.206 0.602 . . . . 0.0 110.953 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.2 -8.5 50.41 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 122.014 -0.429 . . . . 0.0 110.686 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.4 m -114.59 3.29 14.79 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.705 0.802 . . . . 0.0 111.468 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -69.07 119.96 14.18 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -99.97 -6.6 26.33 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -174.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.51 28.77 46.57 Favored Glycine 0 CA--C 1.526 0.729 0 CA-C-O 119.761 -0.466 . . . . 0.0 113.209 171.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -70.66 -6.97 40.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 117.867 0.833 . . . . 0.0 111.135 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.8 t -157.36 174.22 15.75 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.676 0.79 . . . . 0.0 109.18 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.69 154.62 14.21 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -63.23 -33.91 76.52 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -173.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -73.41 -22.23 60.29 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 120.094 -0.642 . . . . 0.0 111.235 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.3 m -67.45 -35.28 78.91 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.705 -0.622 . . . . 0.0 109.328 179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -82.55 -27.26 31.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.438 0.695 . . . . 0.0 111.083 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -75.11 -41.66 58.07 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -61.8 -37.63 85.09 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.7 tpt85 -66.12 -38.99 89.57 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.771 0.828 . . . . 0.0 110.772 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.9 mt -77.74 -36.85 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.44 -36.47 73.97 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -175.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.451 HG23 ' CE2' ' A' ' 40' ' ' TYR . 8.0 p -78.05 -27.41 14.83 Favored 'Isoleucine or valine' 0 C--N 1.338 0.075 0 CA-C-N 118.064 0.393 . . . . 0.0 110.313 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -82.17 -20.58 37.59 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 122.414 -0.179 . . . . 0.0 110.548 178.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.6 m -82.65 -40.71 20.35 Favored 'General case' 0 N--CA 1.456 -0.133 0 O-C-N 121.811 -0.555 . . . . 0.0 110.335 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.56 -30.09 64.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.779 0.263 . . . . 0.0 111.564 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -83.0 -30.23 28.32 Favored 'General case' 0 N--CA 1.457 -0.119 0 O-C-N 122.264 -0.273 . . . . 0.0 110.939 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -74.23 -21.88 59.59 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -72.45 -32.98 66.72 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.729 0.412 . . . . 0.0 110.717 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.88 -30.1 66.38 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 122.196 -0.315 . . . . 0.0 111.611 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--N 1.339 0.142 0 CA-C-N 117.795 0.271 . . . . 0.0 111.613 179.419 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.8 p . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.149 0.499 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -65.11 -17.66 64.65 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 122.071 -0.393 . . . . 0.0 111.108 176.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -68.53 -42.82 77.91 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.925 -0.485 . . . . 0.0 110.746 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 p -84.31 -25.62 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 122.546 0.338 . . . . 0.0 110.679 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.6 tp -79.73 -29.99 40.75 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 119.744 -0.17 . . . . 0.0 110.733 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.8 t -75.14 -39.43 43.36 Favored 'Isoleucine or valine' 0 C--N 1.337 0.062 0 CA-C-N 118.146 0.43 . . . . 0.0 110.381 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.82 -21.61 60.94 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.856 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -72.92 -30.87 64.23 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 117.857 0.299 . . . . 0.0 110.524 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -73.83 -28.44 24.23 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -71.74 -15.68 62.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.939 -0.476 . . . . 0.0 111.164 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -84.57 4.46 32.02 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.75 0.42 . . . . 0.0 111.037 172.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.54 9.14 63.32 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.609 -0.55 . . . . 0.0 113.152 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -80.56 110.9 16.47 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 118.301 1.05 . . . . 0.0 109.887 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -80.27 -28.95 38.29 Favored 'General case' 0 N--CA 1.457 -0.111 0 O-C-N 122.309 -0.245 . . . . 0.0 110.502 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.614 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.8 mmpt? -71.17 -30.26 66.21 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.85 -28.48 68.38 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -76.05 -29.84 58.19 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 122.226 -0.296 . . . . 0.0 110.339 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -65.01 -35.86 82.54 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 122.045 -0.41 . . . . 0.0 110.333 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.25 -30.35 64.78 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.4 tp -70.71 -31.39 68.23 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.58 -42.61 83.59 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -65.46 -24.2 34.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 O-C-N 122.445 -0.159 . . . . 0.0 110.876 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -75.83 -31.4 59.35 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -115.01 -2.93 12.69 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -175.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -59.46 -31.31 69.2 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.467 1.031 . . . . 0.0 112.922 -173.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -87.16 -26.25 23.67 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.187 0.449 . . . . 0.0 110.917 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -81.69 -34.98 30.35 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.434 0.294 . . . . 0.0 110.451 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -79.14 -28.99 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.67 -26.55 65.37 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 m -79.29 -22.16 45.02 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.387 0.275 . . . . 0.0 110.326 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.7 tp -83.1 -44.63 14.92 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.533 0.333 . . . . 0.0 111.814 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.8 m -78.55 -20.15 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 119.939 -0.705 . . . . 0.0 111.433 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 t -61.29 -16.14 42.56 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.041 0.448 . . . . 0.0 110.844 175.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -79.38 -10.92 59.91 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.962 0.505 . . . . 0.0 111.519 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -126.94 -17.47 4.88 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -176.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.6 m -133.72 154.11 80.41 Favored Pre-proline 0 C--O 1.232 0.142 0 CA-C-N 118.379 0.536 . . . . 0.0 110.575 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.85 161.61 45.28 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.36 2.706 . . . . 0.0 109.666 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -59.29 -20.13 51.84 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 122.906 0.482 . . . . 0.0 112.288 -174.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.88 -15.04 81.12 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 119.389 -0.673 . . . . 0.0 112.696 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -118.58 -5.67 10.72 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.049 0.924 . . . . 0.0 112.057 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.433 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 53.2 t -56.59 -51.87 77.85 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.955 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.9 Cg_endo -66.94 -22.75 47.97 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 121.677 1.585 . . . . 0.0 112.05 -174.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.44 -32.84 23.85 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 118.046 0.384 . . . . 0.0 110.77 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.8 t -81.02 -29.26 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 122.492 0.317 . . . . 0.0 110.318 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 37.9 t -71.02 -39.16 74.5 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -72.41 -26.1 61.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.522 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -78.98 -23.67 44.33 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.66 -29.02 45.49 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.263 0.225 . . . . 0.0 111.168 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -83.02 -34.91 26.18 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 117.951 0.341 . . . . 0.0 110.982 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.08 -27.74 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 118.565 0.62 . . . . 0.0 109.97 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -74.83 -32.71 62.01 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.17 -34.44 63.8 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -61.41 -37.99 85.46 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 122.081 -0.387 . . . . 0.0 111.63 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -89.8 -9.39 49.38 Favored 'General case' 0 C--N 1.335 -0.059 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.57 -6.64 14.83 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.8 tt -74.16 -19.13 60.66 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 123.149 0.58 . . . . 0.0 111.115 -177.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -71.18 -7.43 46.66 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 122.216 -0.303 . . . . 0.0 110.682 176.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -114.89 8.47 15.95 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.925 0.89 . . . . 0.0 111.017 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -66.07 131.39 46.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -99.44 -19.88 16.73 Favored 'General case' 0 N--CA 1.46 0.048 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -175.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.5 21.27 75.47 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -69.0 -7.58 36.78 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 117.435 0.618 . . . . 0.0 111.007 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.2 t -156.49 171.85 19.56 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.308 1.043 . . . . 0.0 109.061 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.16 154.23 16.48 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -63.37 -35.1 79.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.872 -0.518 . . . . 0.0 112.041 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -73.26 -21.76 60.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.553 0.615 . . . . 0.0 111.282 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 34.6 m -72.46 -31.07 65.14 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.921 -0.487 . . . . 0.0 109.768 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -82.07 -30.14 31.48 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.905 0.482 . . . . 0.0 110.217 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 tt -73.47 -39.83 64.6 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -63.14 -38.54 91.59 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.53 0.732 . . . . 0.0 109.716 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -68.23 -37.09 80.46 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.807 0.843 . . . . 0.0 110.66 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.1 mt -77.06 -35.62 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.24 76.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.228 0.467 . . . . 0.0 111.842 -175.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.6 p -73.92 -32.86 35.06 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 CA-C-N 118.136 0.426 . . . . 0.0 110.137 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -81.52 -16.78 50.72 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 119.569 -0.253 . . . . 0.0 111.371 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.7 m -84.99 -38.89 18.71 Favored 'General case' 0 N--CA 1.458 -0.048 0 CA-C-N 118.392 0.542 . . . . 0.0 109.902 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.42 -28.97 62.28 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 122.334 -0.229 . . . . 0.0 111.163 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -83.07 -30.76 27.74 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.987 0.358 . . . . 0.0 110.762 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -72.24 -22.45 61.24 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -73.9 -31.48 63.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.88 -0.513 . . . . 0.0 110.466 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.06 -22.99 63.99 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.986 -0.446 . . . . 0.0 111.785 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.461 0.105 0 CA-C-N 117.922 0.328 . . . . 0.0 111.759 178.247 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.5 p . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 121.229 0.538 . . . . 0.0 111.287 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.47 -15.39 37.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.732 0.413 . . . . 0.0 112.11 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -68.65 -47.57 66.24 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.211 0.46 . . . . 0.0 110.879 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.1 p -83.48 -25.1 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 O-C-N 122.443 -0.16 . . . . 0.0 110.587 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.0 tp -72.68 -28.45 62.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.0 t -78.02 -30.75 16.29 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.38 -30.25 68.2 Favored 'General case' 0 C--N 1.339 0.116 0 O-C-N 121.724 -0.61 . . . . 0.0 110.275 174.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -76.66 -30.75 56.93 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 111.655 0.242 . . . . 0.0 111.655 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.8 t -75.85 -35.78 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.057 0 O-C-N 121.993 -0.442 . . . . 0.0 111.28 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -75.19 -15.29 60.57 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.493 0.588 . . . . 0.0 111.123 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -77.5 1.62 18.78 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.668 0.387 . . . . 0.0 111.408 170.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.67 5.45 53.85 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.347 -0.696 . . . . 0.0 113.785 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -81.7 110.89 17.46 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.666 1.233 . . . . 0.0 110.03 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.9 tm0? -80.58 -26.82 37.67 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 122.373 -0.204 . . . . 0.0 110.936 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.612 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.0 mmpt? -73.71 -31.11 63.23 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 122.006 -0.434 . . . . 0.0 109.956 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.66 -27.01 67.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -75.97 -31.85 59.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -62.93 -35.62 80.71 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 121.915 -0.49 . . . . 0.0 110.205 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.09 -31.26 65.91 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.8 tp -71.45 -31.34 67.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.2 t -70.14 -41.17 78.94 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.4 t -66.12 -24.42 33.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 118.012 0.369 . . . . 0.0 110.613 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -74.67 -32.48 62.23 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 117.936 0.335 . . . . 0.0 111.59 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -115.38 -3.64 12.42 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -58.51 -32.92 69.27 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.602 1.092 . . . . 0.0 112.893 -173.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -87.18 -24.94 24.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.49 0.586 . . . . 0.0 111.101 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -81.5 -35.45 30.4 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.542 0.337 . . . . 0.0 110.217 -177.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.3 p -79.09 -30.56 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.29 -29.26 68.0 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.165 -0.334 . . . . 0.0 110.367 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.1 m -78.71 -22.37 46.75 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.287 -0.258 . . . . 0.0 110.76 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.7 tp -81.71 -44.66 16.78 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.253 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.1 m -76.76 -21.32 14.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.728 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -62.1 -16.01 49.35 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.349 0.26 . . . . 0.0 110.834 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -82.73 -6.57 59.47 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 122.154 -0.341 . . . . 0.0 111.551 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -126.91 -14.76 5.53 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.3 m -136.01 154.99 77.97 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 118.838 0.745 . . . . 0.0 111.301 176.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -59.27 157.06 32.04 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.486 2.791 . . . . 0.0 111.015 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.0 p -63.24 -18.29 63.38 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.52 -11.94 84.77 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-O 119.398 -0.668 . . . . 0.0 112.038 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -117.3 -5.76 11.3 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.109 0.954 . . . . 0.0 111.886 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.436 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 49.5 t -57.78 -51.53 81.08 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.932 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 59.5 Cg_endo -66.11 -23.38 53.27 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 121.396 1.397 . . . . 0.0 112.313 -174.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -83.32 -31.99 26.55 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.235 0.47 . . . . 0.0 110.513 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.0 t -81.99 -27.08 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 122.44 0.296 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.95 -36.42 51.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.89 -21.68 60.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 117.78 0.264 . . . . 0.0 110.731 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -84.79 -21.39 29.95 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.758 -0.589 . . . . 0.0 110.32 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.04 -35.04 29.18 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.316 0.246 . . . . 0.0 111.277 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -80.02 -33.53 39.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 118.089 0.404 . . . . 0.0 110.999 177.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.71 -29.47 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 O-C-N 121.932 -0.48 . . . . 0.0 109.855 -178.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -75.02 -32.03 61.51 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.5 -36.72 68.44 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 176.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -62.14 -36.45 81.84 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.038 0.381 . . . . 0.0 111.606 -177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -89.75 -8.11 52.97 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.96 -3.25 13.39 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -75.13 -21.27 58.95 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.279 0.632 . . . . 0.0 111.363 -177.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -70.74 -10.49 59.57 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 122.145 -0.347 . . . . 0.0 110.124 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.7 m -110.19 12.0 23.49 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.004 0.921 . . . . 0.0 111.065 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -66.6 135.05 53.55 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -99.56 -18.21 17.48 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 122.728 0.411 . . . . 0.0 111.856 -174.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.29 19.08 79.89 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -69.01 -9.57 53.13 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.043 0.537 . . . . 0.0 111.144 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.1 t -157.94 173.71 16.35 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.663 0.785 . . . . 0.0 109.314 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.03 155.12 11.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -64.34 -31.82 73.18 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -172.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -75.65 -22.23 56.95 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.645 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.9 m -66.65 -33.97 76.84 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -81.69 -34.74 30.48 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.705 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.5 -34.99 72.96 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -63.56 -41.46 98.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.103 0.561 . . . . 0.0 110.289 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -68.36 -36.83 79.79 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 117.741 0.246 . . . . 0.0 110.579 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.7 mt -71.54 -36.18 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.48 -39.58 77.58 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 117.946 0.339 . . . . 0.0 111.868 -175.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.62 -33.26 31.5 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.096 0 CA-C-N 118.412 0.551 . . . . 0.0 110.372 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -80.22 -16.91 53.72 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.458 -0.151 . . . . 0.0 111.056 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.3 m -82.94 -40.28 20.31 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 174.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.55 -30.47 61.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 122.216 -0.303 . . . . 0.0 110.953 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -80.63 -32.42 36.28 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.096 -0.377 . . . . 0.0 110.947 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -76.24 -17.08 59.66 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.24 -0.288 . . . . 0.0 110.26 177.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -75.03 -32.05 61.49 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.371 0.268 . . . . 0.0 110.7 175.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.81 -33.81 68.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.205 -0.31 . . . . 0.0 111.383 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 CA--C 1.523 -0.068 0 CA-C-N 117.556 0.162 . . . . 0.0 110.864 -179.138 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.4 p . . . . . 0 C--O 1.234 0.28 0 CA-C-O 120.729 0.3 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -61.21 -14.86 28.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 121.789 -0.569 . . . . 0.0 111.65 178.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -69.8 -44.68 69.54 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 118.291 0.496 . . . . 0.0 110.901 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 m -83.83 -23.65 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.467 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.8 tp -74.28 -30.08 61.94 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.4 t -76.16 -35.47 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.087 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -72.46 -25.23 61.36 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.159 -0.338 . . . . 0.0 110.388 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -75.27 -29.99 60.32 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.658 0.383 . . . . 0.0 110.626 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.03 -28.52 21.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 175.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -72.59 -15.87 61.74 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.223 -0.298 . . . . 0.0 110.529 176.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -83.63 4.0 30.36 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.778 0.431 . . . . 0.0 111.096 172.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.21 7.16 64.13 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 119.453 -0.637 . . . . 0.0 113.063 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -79.42 108.83 13.23 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 118.088 0.944 . . . . 0.0 110.153 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -80.18 -27.51 38.9 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.637 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -71.29 -30.77 66.65 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -28.58 68.37 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -74.22 -30.21 62.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.255 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -64.89 -36.57 84.78 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.181 -0.324 . . . . 0.0 110.29 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.22 -25.08 60.6 Favored 'General case' 0 C--O 1.232 0.157 0 O-C-N 122.09 -0.381 . . . . 0.0 110.466 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.1 tp -75.72 -28.45 58.56 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -73.29 -44.36 55.31 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.119 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.0 t -64.71 -23.8 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-N 117.795 0.27 . . . . 0.0 110.63 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -73.15 -37.71 66.5 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.102 0.561 . . . . 0.0 111.657 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -114.43 -0.82 13.65 Favored 'General case' 0 CA--C 1.527 0.08 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -175.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -58.82 -33.77 70.77 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.551 1.069 . . . . 0.0 112.788 -174.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -86.18 -24.24 26.21 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.46 0.573 . . . . 0.0 111.08 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -83.72 -34.17 24.95 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.211 0.205 . . . . 0.0 110.628 -177.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.89 -29.25 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.01 76.7 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 122.23 -0.293 . . . . 0.0 110.555 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.2 m -72.95 -22.08 60.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 117.545 0.157 . . . . 0.0 110.92 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.9 tp -81.26 -42.84 20.07 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 119.384 -0.341 . . . . 0.0 111.566 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.3 m -81.47 -18.65 11.47 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 CA-C-N 118.822 0.737 . . . . 0.0 111.552 -177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -60.73 -15.85 33.62 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 118.026 0.375 . . . . 0.0 110.746 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -80.23 -11.14 59.76 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 123.03 0.532 . . . . 0.0 111.318 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -126.94 -15.73 5.29 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -174.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.75 155.24 79.58 Favored Pre-proline 0 C--O 1.231 0.1 0 CA-C-N 119.095 0.862 . . . . 0.0 111.439 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.91 156.54 38.04 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 123.473 2.782 . . . . 0.0 110.967 174.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.1 t -59.94 -20.98 60.48 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.393 0.277 . . . . 0.0 111.714 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.42 -12.94 84.07 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 119.403 -0.665 . . . . 0.0 112.418 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -117.86 -3.89 11.16 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.145 0.972 . . . . 0.0 112.106 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.427 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 63.4 t -58.35 -52.06 77.34 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.444 178.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 63.8 Cg_endo -67.77 -22.39 43.34 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 121.569 1.513 . . . . 0.0 111.929 -175.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -83.17 -33.11 26.27 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 117.956 0.344 . . . . 0.0 110.726 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.8 t -82.08 -29.14 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 122.66 0.384 . . . . 0.0 110.617 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 t -69.56 -38.05 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -72.34 -30.31 64.62 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.173 -178.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -75.54 -21.74 57.66 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 122.077 -0.389 . . . . 0.0 110.25 176.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.8 -29.79 35.98 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 119.493 -0.289 . . . . 0.0 111.39 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -83.56 -35.27 24.89 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 118.244 0.474 . . . . 0.0 111.135 177.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.51 -29.53 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 118.639 0.654 . . . . 0.0 109.739 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -74.5 -37.19 63.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.598 174.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.6 -32.68 74.44 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -64.89 -38.4 90.86 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 121.935 -0.478 . . . . 0.0 111.175 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -91.79 -5.39 53.58 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.89 -12.38 14.58 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 117.986 0.357 . . . . 0.0 111.378 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 tt -74.97 -19.7 59.98 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.593 0.757 . . . . 0.0 111.155 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -71.78 -8.09 52.14 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.8 t -114.88 2.74 14.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.864 0.865 . . . . 0.0 110.748 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -65.57 130.69 44.18 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 83.1 mtm-85 -99.63 -15.71 18.48 Favored 'General case' 0 C--N 1.338 0.072 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -174.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.2 22.08 71.82 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -69.27 -8.09 42.83 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.596 0.759 . . . . 0.0 111.168 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.8 t -156.79 173.4 17.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.112 0.965 . . . . 0.0 109.21 176.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.92 153.29 17.66 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.25 -34.85 78.56 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.862 -0.524 . . . . 0.0 111.893 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -73.52 -23.31 59.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.488 0.585 . . . . 0.0 111.417 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.2 m -66.84 -35.27 79.67 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -82.0 -32.79 30.4 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.371 0.669 . . . . 0.0 110.934 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.73 -38.83 73.59 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -61.84 -38.56 88.68 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.029 0.532 . . . . 0.0 109.635 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -69.84 -32.87 71.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 119.596 -0.24 . . . . 0.0 111.381 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.7 mt -77.27 -36.93 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 CA-C-N 118.138 0.427 . . . . 0.0 110.168 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.65 -36.08 70.57 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 117.994 0.361 . . . . 0.0 111.775 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.0 p -76.07 -34.13 26.1 Favored 'Isoleucine or valine' 0 C--N 1.338 0.07 0 CA-C-N 118.133 0.424 . . . . 0.0 110.602 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.42 -17.13 43.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.2 m -87.14 -38.27 16.59 Favored 'General case' 0 C--N 1.335 -0.051 0 CA-C-N 118.571 0.623 . . . . 0.0 110.085 175.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.17 -28.44 64.25 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 122.054 -0.404 . . . . 0.0 111.024 177.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -83.64 -31.05 26.41 Favored 'General case' 0 C--O 1.232 0.184 0 O-C-N 122.097 -0.377 . . . . 0.0 110.923 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -72.37 -21.19 61.33 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 176.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -72.84 -33.65 66.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.069 -0.394 . . . . 0.0 110.654 176.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.79 -29.58 66.92 Favored 'General case' 0 N--CA 1.456 -0.138 0 O-C-N 122.185 -0.322 . . . . 0.0 111.83 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.458 -0.067 0 CA-C-N 118.085 0.402 . . . . 0.0 111.27 179.005 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 C--O 1.232 0.18 0 CA-C-O 121.053 0.454 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -65.66 -16.74 64.03 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 122.035 -0.415 . . . . 0.0 111.36 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -72.33 -42.92 64.84 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.906 -0.496 . . . . 0.0 111.003 -177.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.0 p -83.36 -24.4 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.7 tp -80.3 -30.43 38.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 122.343 -0.223 . . . . 0.0 110.465 -177.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.51 -39.18 40.32 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.056 0 O-C-N 122.214 -0.303 . . . . 0.0 110.805 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.9 -23.96 60.78 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.807 0.73 . . . . 0.0 110.598 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -72.95 -29.65 63.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 122.083 -0.386 . . . . 0.0 110.323 177.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.37 -26.02 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 O-C-N 122.128 -0.358 . . . . 0.0 110.18 174.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -71.13 -15.86 62.52 Favored 'General case' 0 C--N 1.34 0.173 0 O-C-N 121.98 -0.45 . . . . 0.0 110.332 175.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -82.79 3.59 28.8 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.665 0.386 . . . . 0.0 111.09 171.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.01 11.31 73.48 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.921 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -78.6 117.1 19.45 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 118.159 0.98 . . . . 0.0 110.628 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.462 HE21 ' HA ' ' A' ' 19' ' ' GLN . 3.0 mm-40 -80.0 -21.77 43.24 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.657 0.383 . . . . 0.0 111.986 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -76.17 -29.86 57.88 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.97 -30.74 65.58 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.328 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -80.62 -35.78 33.58 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.596 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -61.46 -34.63 75.78 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 122.001 -0.437 . . . . 0.0 110.384 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mp -76.86 -28.25 55.37 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.377 0.271 . . . . 0.0 110.528 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.6 tp -73.73 -28.61 61.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.576 0.35 . . . . 0.0 110.114 175.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -72.68 -46.07 55.41 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.24 -23.69 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 117.884 0.311 . . . . 0.0 110.437 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -73.7 -36.36 65.25 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.565 0.346 . . . . 0.0 111.654 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -115.03 0.26 13.6 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -175.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -60.98 -30.34 70.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 119.536 1.062 . . . . 0.0 113.135 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -82.93 -29.44 29.14 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.534 0.607 . . . . 0.0 110.445 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.666 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 8.2 tmtt? -72.25 -46.14 57.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.42 0.688 . . . . 0.0 110.943 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.38 -31.36 38.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.167 -177.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.73 -27.46 65.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 117.885 0.312 . . . . 0.0 110.389 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.7 m -80.46 -22.21 41.3 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.564 0.346 . . . . 0.0 110.356 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.0 tp -85.26 -42.22 14.85 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.832 0.453 . . . . 0.0 111.33 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 m -79.04 -21.29 12.69 Favored 'Isoleucine or valine' 0 C--N 1.338 0.094 0 CA-C-N 118.653 0.66 . . . . 0.0 110.543 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -60.84 -15.88 35.16 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 122.223 -0.298 . . . . 0.0 110.771 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -80.0 -10.94 59.81 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 122.807 0.443 . . . . 0.0 111.501 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -127.07 -14.34 5.52 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -176.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -137.77 153.6 74.05 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-N 118.388 0.54 . . . . 0.0 110.657 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.81 161.97 43.88 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.648 2.899 . . . . 0.0 110.157 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.2 p -60.14 -18.02 44.63 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 123.183 0.593 . . . . 0.0 112.551 -175.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.02 -15.85 81.1 Favored Glycine 0 CA--C 1.528 0.866 0 CA-C-O 119.575 -0.569 . . . . 0.0 112.508 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -118.73 -5.91 10.64 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 117.911 0.855 . . . . 0.0 111.982 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.446 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 53.8 t -56.99 -50.71 86.65 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.792 179.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.4 Cg_endo -67.44 -22.02 45.91 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 121.566 1.511 . . . . 0.0 111.876 -175.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.59 -33.79 23.29 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 122.113 -0.367 . . . . 0.0 110.624 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 78.6 t -80.13 -30.48 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.692 0.397 . . . . 0.0 110.162 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.6 t -70.3 -37.04 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -71.56 -28.41 63.83 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 121.126 -0.229 . . . . 0.0 110.748 -177.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -80.4 -27.73 38.02 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 117.878 0.308 . . . . 0.0 110.409 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.67 -32.3 72.03 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.054 -0.404 . . . . 0.0 111.046 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -84.56 -34.93 23.13 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 117.964 0.347 . . . . 0.0 111.351 176.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -74.36 -28.81 23.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 O-C-N 121.593 -0.692 . . . . 0.0 110.184 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -73.45 -34.21 65.28 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.47 -32.89 64.57 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 176.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -62.34 -40.61 96.93 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 118.395 0.543 . . . . 0.0 111.557 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -90.27 -7.08 54.34 Favored 'General case' 0 C--O 1.23 0.076 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.93 -7.51 18.13 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 175.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 tt -75.61 -18.88 59.57 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.446 0.698 . . . . 0.0 110.46 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.77 -8.47 56.13 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.481 0.313 . . . . 0.0 110.308 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.1 m -114.92 8.07 15.81 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.085 0.954 . . . . 0.0 111.168 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -68.4 130.54 43.2 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.1 mtm-85 -99.29 -16.11 18.6 Favored 'General case' 0 C--O 1.231 0.091 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -175.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.64 21.68 74.21 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -65.77 -10.37 36.72 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.995 0.518 . . . . 0.0 110.743 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.0 t -156.32 174.86 14.79 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.605 1.162 . . . . 0.0 108.528 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.97 154.54 18.68 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -62.87 -32.49 73.74 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.104 -0.373 . . . . 0.0 111.746 -175.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.666 ' CZ ' ' HE3' ' A' ' 32' ' ' LYS . 62.3 t80 -68.81 -28.99 67.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 122.104 -0.372 . . . . 0.0 110.903 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.2 m -67.45 -34.87 78.07 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -82.64 -31.79 28.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.442 0.697 . . . . 0.0 111.276 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -38.98 72.3 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -66.57 -39.61 88.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.9 tpp85 -69.22 -31.8 70.62 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 123.172 0.589 . . . . 0.0 111.475 -176.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.8 mt -76.53 -36.09 27.42 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.114 0 CA-C-N 117.983 0.356 . . . . 0.0 110.091 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.81 -39.64 83.96 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.123 0.42 . . . . 0.0 111.844 -175.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.3 p -73.98 -32.81 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 117.855 0.298 . . . . 0.0 110.452 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -83.04 -17.55 42.89 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 119.382 -0.342 . . . . 0.0 111.74 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.4 m -82.0 -38.87 24.42 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 118.819 0.736 . . . . 0.0 109.794 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.9 -28.31 62.4 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 122.359 -0.213 . . . . 0.0 110.844 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -83.01 -31.35 27.51 Favored 'General case' 0 C--O 1.231 0.09 0 O-C-N 122.197 -0.314 . . . . 0.0 110.867 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -74.53 -19.48 60.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -73.55 -33.48 64.72 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.102 -0.374 . . . . 0.0 110.769 175.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.5 mt -71.29 -26.85 63.04 Favored 'General case' 0 CA--C 1.528 0.121 0 O-C-N 122.063 -0.398 . . . . 0.0 111.595 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.227 -0.112 0 CA-C-N 118.189 0.45 . . . . 0.0 111.24 176.545 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.9 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.334 0.587 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.6 -16.88 58.74 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.884 0.474 . . . . 0.0 111.979 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -66.42 -45.41 80.0 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 121.747 -0.596 . . . . 0.0 110.737 -177.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 p -84.01 -25.54 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 CA-C-N 116.92 -0.127 . . . . 0.0 110.878 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.0 tp -78.55 -29.57 46.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.463 -0.148 . . . . 0.0 110.851 -178.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.2 t -75.0 -40.2 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 O-C-N 122.107 -0.37 . . . . 0.0 110.379 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.74 -21.52 61.01 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.788 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -71.89 -31.76 66.74 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 117.835 0.289 . . . . 0.0 110.327 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -73.61 -28.01 24.15 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.027 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 175.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -71.7 -15.36 62.2 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 121.986 -0.446 . . . . 0.0 110.834 176.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -85.64 3.77 39.38 Favored 'General case' 0 C--N 1.339 0.121 0 C-N-CA 122.926 0.49 . . . . 0.0 111.127 173.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.87 7.96 62.3 Favored Glycine 0 C--N 1.339 0.746 0 C-N-CA 123.538 0.59 . . . . 0.0 112.859 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -79.66 110.03 14.62 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.328 1.064 . . . . 0.0 109.927 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -80.12 -27.89 39.07 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 122.448 -0.157 . . . . 0.0 110.683 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.638 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -71.5 -31.2 66.82 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.44 -28.63 68.75 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.63 -30.71 61.74 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -65.14 -34.59 78.76 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 121.989 -0.445 . . . . 0.0 110.37 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.51 -26.03 57.75 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.26 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.5 tp -76.36 -31.03 57.84 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.2 t -68.2 -48.66 72.8 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.09 -23.89 29.44 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 CA-C-N 117.825 0.284 . . . . 0.0 110.619 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -69.66 -30.94 68.74 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.39 0.276 . . . . 0.0 111.025 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -114.48 -0.32 13.77 Favored 'General case' 0 C--O 1.227 -0.115 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -58.35 -39.71 80.24 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.608 0.64 . . . . 0.0 112.147 -173.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -83.1 -23.15 33.18 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 122.028 -0.42 . . . . 0.0 110.888 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -84.97 -32.62 22.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.46 0.171 . . . . 0.0 110.873 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.0 p -80.43 -28.33 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.77 -27.31 64.82 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.4 m -78.3 -21.44 49.69 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.886 0.474 . . . . 0.0 110.904 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -84.28 -44.46 13.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 119.35 -0.357 . . . . 0.0 111.781 177.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 m -79.01 -22.17 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-N 118.824 0.738 . . . . 0.0 111.697 -176.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.2 p -62.13 -15.44 45.75 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.043 0.383 . . . . 0.0 111.111 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -78.7 -9.42 59.41 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.471 0.708 . . . . 0.0 111.277 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.445 ' CE2' HG23 ' A' ' 79' ' ' VAL . 52.2 m-85 -126.94 -16.64 5.08 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -177.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.7 m -135.11 153.11 78.14 Favored Pre-proline 0 C--N 1.34 0.163 0 CA-C-N 118.295 0.498 . . . . 0.0 110.425 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -70.26 161.43 46.01 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.294 2.663 . . . . 0.0 109.698 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.6 m -59.28 -16.05 19.34 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.316 0.646 . . . . 0.0 112.695 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.55 -14.98 81.54 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.516 -0.602 . . . . 0.0 112.464 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -118.69 -6.48 10.63 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 117.865 0.833 . . . . 0.0 112.098 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.433 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 57.4 t -56.09 -51.02 83.97 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-O 118.283 -0.865 . . . . 0.0 112.162 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 65.3 Cg_endo -67.8 -21.81 44.01 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.586 1.524 . . . . 0.0 112.13 -174.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -85.76 -30.93 22.67 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.1 0.409 . . . . 0.0 110.674 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.4 t -81.76 -29.97 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.4 t -70.94 -38.24 71.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -72.79 -27.58 62.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.252 -177.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -78.31 -23.04 47.27 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 122.05 -0.406 . . . . 0.0 110.384 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.32 -28.08 42.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 119.478 -0.296 . . . . 0.0 111.488 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -84.37 -33.39 23.82 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 118.133 0.424 . . . . 0.0 110.979 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.45 -27.55 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 CA-C-N 118.762 0.71 . . . . 0.0 109.714 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -72.98 -34.98 66.79 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 173.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.54 -38.01 74.12 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -61.76 -38.85 89.54 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.029 0.377 . . . . 0.0 111.692 -177.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -87.9 -5.19 58.7 Favored 'General case' 0 C--N 1.339 0.12 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -177.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.62 -4.36 10.78 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 tt -74.17 -19.75 60.45 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.672 -0.642 . . . . 0.0 111.174 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -74.65 -5.41 42.92 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.16 -0.337 . . . . 0.0 110.814 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.2 m -114.66 6.19 15.61 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.159 0.984 . . . . 0.0 110.951 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -66.92 130.31 42.73 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -99.55 -17.15 18.0 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.67 22.65 69.1 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -66.44 -10.58 45.49 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.28 0.632 . . . . 0.0 110.648 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.0 t -156.38 172.79 17.89 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.298 1.039 . . . . 0.0 109.03 176.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.07 154.66 12.35 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.32 -33.06 74.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.824 -0.547 . . . . 0.0 112.041 -173.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -70.67 -22.59 62.46 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.816 0.735 . . . . 0.0 111.054 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.7 m -69.95 -35.03 74.18 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -82.46 -27.85 31.63 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.96 0.504 . . . . 0.0 110.93 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.14 -42.55 55.92 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.43 -40.06 89.68 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -65.07 -38.15 89.86 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.929 0.892 . . . . 0.0 110.995 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.4 mt -78.81 -35.81 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.84 -36.45 72.88 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 117.897 0.317 . . . . 0.0 111.714 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.445 HG23 ' CE2' ' A' ' 40' ' ' TYR . 10.4 p -77.42 -27.74 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 CA-C-N 118.129 0.422 . . . . 0.0 110.527 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 42.5 t-20 -80.77 -28.8 36.28 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.4 m -76.17 -39.31 55.2 Favored 'General case' 0 N--CA 1.457 -0.086 0 O-C-N 121.957 -0.465 . . . . 0.0 110.32 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.55 -30.15 64.18 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 117.814 0.279 . . . . 0.0 110.964 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -82.46 -29.9 30.32 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.388 -0.195 . . . . 0.0 110.634 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -72.96 -22.82 60.64 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -71.99 -34.04 68.59 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.992 -0.443 . . . . 0.0 110.437 177.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.96 -27.92 66.16 Favored 'General case' 0 CA--C 1.527 0.094 0 O-C-N 122.22 -0.3 . . . . 0.0 111.495 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.462 0.138 0 CA-C-N 117.93 0.332 . . . . 0.0 111.53 177.74 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.6 p . . . . . 0 C--O 1.231 0.1 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.92 -16.95 62.67 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.192 -0.318 . . . . 0.0 111.04 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -75.95 -45.34 35.47 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 122.071 -0.393 . . . . 0.0 110.62 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.8 p -84.37 -26.16 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-N 118.007 0.367 . . . . 0.0 110.836 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.0 tp -73.02 -27.99 62.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.1 t -76.7 -36.48 27.09 Favored 'Isoleucine or valine' 0 C--N 1.338 0.092 0 CA-C-O 119.373 -0.346 . . . . 0.0 110.222 175.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -66.17 -30.13 70.54 Favored 'General case' 0 C--N 1.338 0.096 0 CA-C-N 118.659 0.663 . . . . 0.0 110.125 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -72.34 -31.28 65.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.09 0.156 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.72 -29.18 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 118.041 0.382 . . . . 0.0 110.025 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -72.15 -15.3 61.97 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 117.9 0.318 . . . . 0.0 110.931 176.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -83.91 3.84 32.19 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.823 0.449 . . . . 0.0 111.232 172.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.36 9.02 65.57 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.593 -0.559 . . . . 0.0 112.973 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -78.93 111.98 15.65 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 118.035 0.917 . . . . 0.0 109.889 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -80.22 -28.22 38.63 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.621 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.7 mmpt? -71.72 -28.51 63.73 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 -27.92 65.59 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.37 -33.41 37.23 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.449 -0.157 . . . . 0.0 110.884 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -64.73 -34.32 78.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mp -75.33 -28.41 59.61 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.763 0.425 . . . . 0.0 110.017 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 tp -72.45 -30.22 64.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.84 0.456 . . . . 0.0 110.091 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.0 -46.41 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.25 -23.66 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 117.607 0.185 . . . . 0.0 110.512 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -73.37 -36.32 66.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.781 0.432 . . . . 0.0 111.775 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -114.81 0.21 13.73 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -175.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -60.66 -29.42 69.28 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 119.229 0.922 . . . . 0.0 113.28 -174.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -86.04 -26.69 25.23 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.59 0.632 . . . . 0.0 110.408 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.728 ' HE2' ' CZ ' ' A' ' 71' ' ' TYR . 2.2 tmtm? -73.8 -43.91 57.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.768 0.827 . . . . 0.0 110.813 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.1 -31.62 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.982 -177.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.61 -28.43 67.73 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 117.992 0.36 . . . . 0.0 110.358 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.3 m -79.86 -22.19 43.21 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 122.641 0.376 . . . . 0.0 110.867 178.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 tp -83.9 -40.42 18.61 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.49 0.316 . . . . 0.0 111.581 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 m -80.86 -22.29 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 118.526 0.603 . . . . 0.0 111.16 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.2 m -60.88 -15.71 33.65 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 118.161 0.437 . . . . 0.0 111.127 175.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -79.76 -10.53 59.8 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.338 0.655 . . . . 0.0 111.306 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -126.72 -18.28 4.79 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.2 m -133.1 153.69 80.95 Favored Pre-proline 0 CA--C 1.528 0.114 0 CA-C-N 118.476 0.58 . . . . 0.0 110.621 177.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -70.41 160.96 47.75 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.586 2.857 . . . . 0.0 109.776 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.3 p -58.99 -17.98 29.94 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -174.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.19 -14.85 81.9 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-O 119.321 -0.71 . . . . 0.0 112.54 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -118.73 -7.52 10.5 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.23 1.015 . . . . 0.0 112.29 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.44 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 79.6 t -55.72 -51.49 79.83 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-O 118.305 -0.855 . . . . 0.0 111.926 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.0 Cg_endo -66.14 -24.57 51.59 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 121.386 1.391 . . . . 0.0 112.242 -174.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -85.27 -31.2 23.23 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.979 -0.45 . . . . 0.0 110.997 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.1 t -78.67 -29.18 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.5 t -71.44 -33.69 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -72.85 -27.98 62.26 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 119.737 -0.173 . . . . 0.0 111.021 -176.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -82.06 -26.82 33.36 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.389 0.54 . . . . 0.0 110.145 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.96 -34.63 76.94 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.988 -0.445 . . . . 0.0 111.129 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -84.58 -35.13 22.99 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.991 -0.443 . . . . 0.0 111.393 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.13 -30.08 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 118.62 0.646 . . . . 0.0 110.121 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HA ' ' HE ' ' A' ' 59' ' ' ARG . 56.4 tptt -73.17 -33.4 65.42 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.27 -32.13 64.48 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 119.618 -0.23 . . . . 0.0 110.487 176.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -64.98 -38.13 89.95 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.37 0.532 . . . . 0.0 111.404 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.405 ' HE ' ' HA ' ' A' ' 56' ' ' LYS . 25.3 ptt180 -91.93 -5.5 53.05 Favored 'General case' 0 C--N 1.338 0.105 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.34 -7.97 15.15 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.1 tt -74.76 -20.02 59.98 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.118 0.567 . . . . 0.0 110.872 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.45 -8.0 54.07 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.0 m -114.58 9.87 16.68 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.241 1.017 . . . . 0.0 110.839 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -67.37 131.89 46.61 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.0 mtm-85 -99.4 -16.83 18.26 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -174.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.21 19.5 79.64 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.713 -0.555 . . . . 0.0 111.713 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -66.17 -11.62 50.67 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.316 0.646 . . . . 0.0 110.809 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.1 t -155.93 173.72 16.37 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.492 1.117 . . . . 0.0 108.946 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.72 154.61 21.14 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.64 -34.33 76.84 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 122.077 -0.389 . . . . 0.0 111.641 -175.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.728 ' CZ ' ' HE2' ' A' ' 32' ' ' LYS . 56.9 t80 -68.03 -31.38 71.02 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 117.594 0.179 . . . . 0.0 110.996 -177.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.1 m -65.99 -34.7 78.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -82.03 -33.45 29.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.379 0.672 . . . . 0.0 110.748 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.92 -36.24 79.83 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -65.09 -42.99 93.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.613 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -65.67 -36.44 83.65 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.031 0.378 . . . . 0.0 111.896 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.8 mt -71.68 -34.76 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.134 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.87 -40.38 69.0 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 118.052 0.387 . . . . 0.0 111.946 -175.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.78 -31.23 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.052 0 CA-C-N 118.161 0.437 . . . . 0.0 110.156 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -83.01 -22.94 33.48 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.25 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.4 m -74.06 -39.58 63.4 Favored 'General case' 0 N--CA 1.458 -0.062 0 CA-C-N 118.795 0.725 . . . . 0.0 109.353 175.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.04 -29.49 60.79 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 122.055 0.142 . . . . 0.0 111.079 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -82.34 -31.71 29.69 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 122.012 -0.43 . . . . 0.0 110.789 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -73.85 -21.27 60.17 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 175.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -72.1 -31.38 66.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 119.712 -0.185 . . . . 0.0 110.96 176.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.24 -34.33 65.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 118.314 0.507 . . . . 0.0 111.735 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.461 0.103 0 CA-C-N 118.088 0.404 . . . . 0.0 110.839 177.51 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.4 p . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -62.45 -17.27 59.05 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 122.124 -0.36 . . . . 0.0 111.682 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -75.55 -47.12 28.2 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.033 -0.417 . . . . 0.0 110.763 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.11 -28.17 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-N 117.636 0.198 . . . . 0.0 110.82 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp -70.32 -27.9 64.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.7 t -78.22 -36.83 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 O-C-N 122.321 -0.237 . . . . 0.0 110.461 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -67.05 -27.47 67.42 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 118.555 0.616 . . . . 0.0 110.147 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.5 ttm-85 -74.22 -31.9 62.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.04 0.536 . . . . 0.0 110.724 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.9 t -76.2 -29.02 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 175.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -70.9 -15.29 62.6 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.988 -0.445 . . . . 0.0 110.293 174.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -82.43 -0.66 47.2 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.221 0.608 . . . . 0.0 110.8 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.17 6.64 62.93 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 119.605 -0.553 . . . . 0.0 112.735 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -78.23 109.85 12.72 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.067 0.933 . . . . 0.0 109.701 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -80.34 -28.38 38.12 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.483 -0.136 . . . . 0.0 110.738 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.623 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -71.28 -30.79 66.71 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.11 68.77 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -74.19 -30.47 62.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.213 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -64.94 -36.43 84.36 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 122.07 -0.394 . . . . 0.0 110.379 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.3 -26.79 62.09 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.5 tp -75.75 -29.44 58.85 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.671 0.388 . . . . 0.0 110.057 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -72.51 -45.66 58.29 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.44 -23.63 33.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -75.82 -33.25 60.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 122.864 0.465 . . . . 0.0 111.976 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -114.76 -2.3 13.02 Favored 'General case' 0 C--N 1.337 0.056 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -60.27 -29.61 68.91 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.409 1.004 . . . . 0.0 112.703 -173.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -85.53 -28.51 24.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.521 0.6 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -80.46 -36.05 34.05 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.371 0.268 . . . . 0.0 110.68 -177.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.8 p -78.11 -29.95 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.61 -27.47 66.06 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.4 m -78.58 -22.24 47.43 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.185 0.194 . . . . 0.0 110.529 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.3 tp -84.16 -45.29 13.12 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.573 0.349 . . . . 0.0 111.587 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.3 m -76.39 -20.88 15.11 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.846 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.6 t -61.28 -16.03 41.35 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.094 -0.378 . . . . 0.0 110.76 176.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -79.41 -9.07 59.52 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.937 0.495 . . . . 0.0 111.607 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -126.93 -13.3 5.79 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -177.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -138.05 154.88 74.58 Favored Pre-proline 0 CA--C 1.529 0.142 0 CA-C-N 118.663 0.665 . . . . 0.0 111.251 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -58.88 156.43 33.27 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.654 2.902 . . . . 0.0 111.025 173.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.0 p -62.43 -17.68 59.93 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.15 -12.7 84.09 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.521 -0.6 . . . . 0.0 112.155 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -118.38 -4.27 10.9 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.077 0.939 . . . . 0.0 112.134 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.451 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 48.8 t -58.39 -50.16 89.59 Favored Pre-proline 0 C--N 1.34 0.183 0 CA-C-O 118.255 -0.879 . . . . 0.0 112.074 178.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 59.0 Cg_endo -66.37 -22.47 52.55 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.316 1.344 . . . . 0.0 112.032 -174.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -84.23 -32.03 24.7 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 118.112 0.415 . . . . 0.0 110.791 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.8 t -80.95 -27.96 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.2 t -72.52 -35.89 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -72.83 -21.7 60.92 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 117.754 0.252 . . . . 0.0 110.436 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -83.78 -20.74 32.77 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 121.702 -0.624 . . . . 0.0 110.206 175.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.95 -34.02 26.6 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 119.552 -0.261 . . . . 0.0 111.513 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -81.56 -31.99 32.41 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.098 0.408 . . . . 0.0 110.959 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.53 -30.17 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -73.32 -31.72 64.16 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.5 -31.76 60.3 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 119.481 -0.295 . . . . 0.0 110.679 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -63.77 -39.8 95.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.486 0.585 . . . . 0.0 111.409 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -92.09 -5.48 52.71 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.17 -4.52 16.48 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.0 tt -79.01 -17.39 55.44 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 122.898 0.479 . . . . 0.0 111.051 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -70.52 -11.36 60.87 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.072 -0.393 . . . . 0.0 111.232 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.5 p -114.99 8.43 15.81 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.459 0.703 . . . . 0.0 111.274 177.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -67.27 130.24 42.46 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.2 mtm-85 -99.41 -16.03 18.54 Favored 'General case' 0 CA--C 1.527 0.061 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -174.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.58 23.49 62.4 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.82 -9.4 44.15 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.104 0.562 . . . . 0.0 111.211 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.1 t -157.21 172.91 17.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.09 0.956 . . . . 0.0 109.068 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.87 151.86 20.67 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 175.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.85 -33.5 75.4 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -172.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -75.17 -19.25 59.94 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 119.771 -0.772 . . . . 0.0 111.474 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.7 m -70.04 -33.89 72.56 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -82.1 -32.17 30.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.375 0.67 . . . . 0.0 110.294 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.04 -36.9 69.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -63.41 -40.94 98.56 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.619 0.368 . . . . 0.0 110.176 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -67.13 -36.59 82.21 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.2 mt -74.31 -35.33 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.62 -40.39 80.38 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.054 0.388 . . . . 0.0 111.876 -175.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.93 -35.32 42.05 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-N 118.293 0.497 . . . . 0.0 110.296 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -78.67 -16.71 56.97 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 119.469 -0.3 . . . . 0.0 110.992 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 51.0 m -83.44 -38.24 22.14 Favored 'General case' 0 C--O 1.228 -0.043 0 CA-C-N 118.514 0.597 . . . . 0.0 109.794 174.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.54 -30.85 63.33 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -79.28 -26.61 42.31 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 122.145 -0.347 . . . . 0.0 110.957 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -74.33 -21.89 59.5 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -76.12 -26.69 56.61 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.976 -0.453 . . . . 0.0 110.627 176.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.64 -19.7 48.5 Favored 'General case' 0 CA--C 1.527 0.094 0 O-C-N 121.792 -0.567 . . . . 0.0 112.155 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 C--O 1.228 -0.042 0 CA-C-N 117.909 0.322 . . . . 0.0 111.098 177.376 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.6 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.016 0.436 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -65.03 -15.09 61.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.246 -0.284 . . . . 0.0 111.746 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -75.71 -44.88 39.81 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.789 -0.569 . . . . 0.0 110.74 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.8 p -82.46 -25.52 8.8 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.052 0 C-N-CA 122.235 0.214 . . . . 0.0 110.569 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.4 tp -77.75 -29.07 50.85 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 122.289 -0.257 . . . . 0.0 110.848 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.45 -39.57 27.79 Favored 'Isoleucine or valine' 0 C--N 1.339 0.128 0 O-C-N 122.148 -0.345 . . . . 0.0 110.51 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.19 -22.59 61.25 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 118.882 0.765 . . . . 0.0 110.466 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -72.51 -31.56 65.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 122.298 -0.251 . . . . 0.0 110.605 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.6 t -73.51 -29.38 27.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -71.66 -15.3 62.22 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.946 -0.472 . . . . 0.0 110.901 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -88.03 6.96 33.57 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.451 0.7 . . . . 0.0 111.163 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.17 7.52 63.86 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 119.574 -0.57 . . . . 0.0 113.193 174.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -81.9 107.27 14.48 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.288 1.044 . . . . 0.0 110.154 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -80.39 -25.56 39.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 122.502 -0.124 . . . . 0.0 110.857 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.632 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -71.88 -32.4 67.41 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.009 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.18 -29.02 69.8 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 176.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -75.71 -31.39 59.64 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.371 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -65.07 -33.36 75.84 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.052 -0.405 . . . . 0.0 110.658 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.2 -27.13 56.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.5 tp -75.25 -30.72 60.59 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.475 0.31 . . . . 0.0 110.288 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.09 -49.46 67.59 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.8 t -67.77 -23.78 29.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -69.69 -31.11 68.96 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.61 0.364 . . . . 0.0 111.375 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -114.73 -0.24 13.63 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -58.45 -38.44 77.53 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.651 0.659 . . . . 0.0 112.2 -173.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -82.75 -23.89 33.76 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 117.966 0.348 . . . . 0.0 111.042 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HE2' ' CZ ' ' A' ' 71' ' ' TYR . 80.5 tttt -85.18 -34.01 22.17 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.342 0.257 . . . . 0.0 110.798 -176.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -79.69 -28.52 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.51 64.52 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.9 t -76.33 -26.24 55.56 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.1 tp -82.8 -44.33 15.65 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.891 0.477 . . . . 0.0 112.025 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -79.01 -18.76 13.03 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 118.959 0.799 . . . . 0.0 111.176 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -61.97 -16.07 48.45 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.179 -0.325 . . . . 0.0 110.391 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -78.14 -11.86 59.95 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.352 0.661 . . . . 0.0 111.532 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -127.05 -13.42 5.7 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -175.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.3 m -138.13 154.67 74.27 Favored Pre-proline 0 N--CA 1.462 0.143 0 CA-C-N 118.826 0.739 . . . . 0.0 111.551 176.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.53 156.61 35.68 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.633 2.889 . . . . 0.0 111.018 173.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -61.15 -20.31 62.55 Favored 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 122.172 0.189 . . . . 0.0 111.423 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.65 -13.0 83.95 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-O 119.311 -0.716 . . . . 0.0 112.079 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -117.49 -5.23 11.23 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.292 1.046 . . . . 0.0 111.783 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.44 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 45.8 t -57.53 -51.02 84.81 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 118.426 -0.797 . . . . 0.0 112.193 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.1 Cg_endo -66.8 -23.69 47.78 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.481 1.454 . . . . 0.0 112.31 -173.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -87.17 -26.0 23.78 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 118.277 0.489 . . . . 0.0 111.122 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.5 t -84.13 -27.53 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.5 t -73.76 -39.76 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -72.55 -32.16 65.85 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.112 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.61 -25.46 63.05 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.4 -28.9 52.85 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.136 -0.353 . . . . 0.0 111.113 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -84.62 -34.75 23.05 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.144 0.429 . . . . 0.0 111.239 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.34 -29.85 40.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 CA-C-N 118.829 0.74 . . . . 0.0 109.52 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -75.13 -31.4 61.08 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 176.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.93 -31.15 61.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.59 -38.66 91.78 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.156 0.434 . . . . 0.0 111.383 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -88.03 -10.25 50.87 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.03 -9.58 15.07 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.2 tt -72.49 -19.41 61.55 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.88 0.472 . . . . 0.0 110.483 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.24 -9.11 58.36 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.711 0.291 . . . . 0.0 110.399 174.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -114.65 7.47 16.0 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.99 0.916 . . . . 0.0 111.087 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -68.0 130.83 44.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -99.22 -14.57 19.24 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -174.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.13 20.93 78.91 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -69.8 -7.72 42.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.057 0.543 . . . . 0.0 111.43 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.8 t -157.9 172.45 18.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.097 0.959 . . . . 0.0 109.377 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.35 154.47 13.53 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.006 0.523 . . . . 0.0 109.819 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.31 -31.65 72.9 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.405 ' CZ ' ' HE2' ' A' ' 32' ' ' LYS . 73.5 t80 -73.62 -25.81 60.49 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.628 0.649 . . . . 0.0 111.005 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.6 m -67.16 -34.34 77.34 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -81.65 -32.97 31.63 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.607 0.363 . . . . 0.0 110.459 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.1 -34.19 70.88 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -65.84 -40.39 91.72 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.22 -35.06 78.79 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 117.819 0.281 . . . . 0.0 110.674 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -73.56 -36.51 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.83 -41.26 75.21 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.12 0.418 . . . . 0.0 111.938 -174.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.8 p -74.29 -31.91 30.05 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-N 118.124 0.42 . . . . 0.0 110.489 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -82.86 -16.77 46.31 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 119.418 -0.325 . . . . 0.0 111.329 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.3 m -84.29 -37.81 21.21 Favored 'General case' 0 CA--C 1.527 0.065 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 173.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.41 -29.2 59.69 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -84.52 -34.29 23.33 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 117.98 0.355 . . . . 0.0 110.96 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -73.38 -18.49 61.16 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -70.07 -44.48 69.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.719 -0.613 . . . . 0.0 109.887 172.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.2 -23.89 66.9 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.456 -0.148 0 O-C-N 122.196 -0.315 . . . . 0.0 111.125 -178.91 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.2 p . . . . . 0 CA--C 1.529 0.161 0 CA-C-O 120.927 0.394 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -63.09 -14.83 53.17 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 121.804 -0.56 . . . . 0.0 111.307 -178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -67.31 -41.57 85.12 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 117.961 0.346 . . . . 0.0 110.446 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -83.88 -24.67 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 CA-C-N 118.081 0.401 . . . . 0.0 110.295 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.75 -29.0 58.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.3 t -75.26 -35.13 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -71.35 -28.6 64.17 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-N 118.105 0.411 . . . . 0.0 110.53 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -72.84 -29.11 62.96 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.246 0.219 . . . . 0.0 110.867 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.3 t -77.07 -28.0 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 O-C-N 122.095 -0.378 . . . . 0.0 110.141 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -72.07 -15.81 62.02 Favored 'General case' 0 CA--C 1.529 0.163 0 O-C-N 122.082 -0.386 . . . . 0.0 110.394 175.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -83.48 4.5 27.59 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.791 0.436 . . . . 0.0 111.115 172.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.1 9.57 67.38 Favored Glycine 0 CA--C 1.528 0.874 0 CA-C-O 119.589 -0.562 . . . . 0.0 113.075 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -78.07 114.45 16.96 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.301 1.051 . . . . 0.0 110.331 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.2 tp60 -80.13 -28.66 38.88 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.614 0.366 . . . . 0.0 111.031 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.8 mmpt? -75.72 -30.67 59.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.6 -30.14 70.82 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -76.23 -30.89 58.1 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.119 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -62.94 -35.59 80.63 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.817 0.28 . . . . 0.0 110.638 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.52 -30.46 64.5 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.8 tp -71.59 -30.37 65.75 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.02 -42.76 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.48 -23.87 34.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 CA-C-N 117.932 0.333 . . . . 0.0 110.97 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.99 -31.46 58.97 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 122.039 -0.413 . . . . 0.0 111.884 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -117.46 -0.02 12.04 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -175.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -59.94 -31.1 69.54 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 119.348 0.976 . . . . 0.0 113.24 -174.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -85.33 -27.56 25.82 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.31 0.505 . . . . 0.0 110.403 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.658 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 9.1 tmtt? -71.7 -46.01 60.09 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.373 0.669 . . . . 0.0 110.569 178.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.8 p -73.17 -31.39 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.186 -176.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.98 -29.43 68.46 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 122.074 -0.391 . . . . 0.0 110.819 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.6 m -80.12 -22.06 42.54 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.21 0.204 . . . . 0.0 110.696 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -84.11 -40.86 17.75 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 122.608 0.363 . . . . 0.0 111.572 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 m -80.87 -21.2 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.077 0 CA-C-N 118.568 0.622 . . . . 0.0 111.173 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.1 t -61.06 -15.87 37.32 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.682 0.277 . . . . 0.0 110.63 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -79.23 -11.48 59.96 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.335 0.654 . . . . 0.0 111.506 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -127.08 -15.43 5.29 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -175.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.8 m -136.42 154.36 76.89 Favored Pre-proline 0 N--CA 1.463 0.216 0 CA-C-N 118.346 0.521 . . . . 0.0 110.584 176.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -70.08 162.02 43.79 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.427 2.751 . . . . 0.0 110.097 176.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.0 p -60.34 -18.2 48.31 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.91 -15.09 81.59 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.485 -0.619 . . . . 0.0 112.436 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -118.56 -5.84 10.72 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 117.981 0.891 . . . . 0.0 112.149 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.43 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 54.8 t -56.59 -50.92 85.07 Favored Pre-proline 0 C--O 1.226 -0.176 0 CA-C-O 118.343 -0.837 . . . . 0.0 112.186 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 66.0 Cg_endo -68.14 -22.93 40.21 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 121.444 1.429 . . . . 0.0 112.379 -174.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -87.0 -25.83 24.06 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 118.11 0.414 . . . . 0.0 111.038 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.9 t -84.53 -27.02 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.4 t -73.93 -39.74 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.45 -31.86 65.79 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.645 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -72.23 -24.71 61.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 122.224 -0.297 . . . . 0.0 110.391 176.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.01 -32.77 61.7 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 122.273 -0.267 . . . . 0.0 110.746 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -84.59 -35.86 22.47 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 117.772 0.26 . . . . 0.0 111.235 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -69.72 -29.52 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 118.937 0.789 . . . . 0.0 109.765 177.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -74.66 -31.63 61.99 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.272 0.487 . . . . 0.0 109.993 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.02 -33.11 63.65 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -63.3 -37.87 88.96 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.068 0.394 . . . . 0.0 111.403 -177.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -87.7 -12.01 46.6 Favored 'General case' 0 CA--C 1.527 0.059 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.14 -7.53 16.02 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 tt -75.13 -21.7 58.67 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.604 0.762 . . . . 0.0 110.385 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.55 -8.85 57.63 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 174.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.0 m -114.71 12.36 17.08 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.989 0.915 . . . . 0.0 110.956 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -66.66 132.25 47.73 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 mtt85 -99.53 -18.68 17.27 Favored 'General case' 0 C--N 1.337 0.054 0 C-N-CA 123.035 0.534 . . . . 0.0 112.118 -174.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.89 20.15 79.59 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.709 -0.556 . . . . 0.0 111.709 178.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.56 -10.26 54.64 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 117.272 0.536 . . . . 0.0 111.17 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.1 t -154.91 172.47 17.99 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.37 1.068 . . . . 0.0 108.754 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.52 152.85 17.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 176.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.24 -31.42 72.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -174.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.658 ' CZ ' ' HE3' ' A' ' 32' ' ' LYS . 69.6 t80 -71.16 -28.56 64.34 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 118.091 0.405 . . . . 0.0 110.991 -178.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.9 m -66.96 -34.36 77.6 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -82.41 -31.8 29.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.661 0.784 . . . . 0.0 111.025 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -38.35 72.43 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -67.32 -39.33 85.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -65.78 -35.42 80.65 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.512 0.725 . . . . 0.0 111.39 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.4 mt -75.98 -34.5 27.33 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.114 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.54 -40.78 85.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 118.046 0.384 . . . . 0.0 111.938 -175.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.8 p -74.02 -31.95 31.73 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.043 0 CA-C-N 117.889 0.313 . . . . 0.0 110.502 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -82.89 -17.88 42.22 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.46 -0.305 . . . . 0.0 111.722 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.4 m -82.31 -39.24 23.15 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 118.542 0.61 . . . . 0.0 109.895 176.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.58 -27.41 62.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 122.249 -0.282 . . . . 0.0 110.873 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -84.12 -31.14 25.4 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 122.288 -0.257 . . . . 0.0 110.677 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -72.81 -22.03 60.88 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -73.92 -32.41 63.52 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.057 -0.402 . . . . 0.0 110.713 175.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.37 -23.37 64.66 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.013 -0.429 . . . . 0.0 111.505 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 C--O 1.227 -0.109 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 178.796 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.3 p . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.885 0.374 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.01 -14.86 57.32 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 122.493 0.317 . . . . 0.0 111.3 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -71.53 -45.46 62.31 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.975 -0.453 . . . . 0.0 110.623 -177.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.8 -26.08 7.52 Favored 'Isoleucine or valine' 0 C--N 1.339 0.111 0 CA-C-N 117.935 0.334 . . . . 0.0 110.729 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 tp -71.85 -27.16 62.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.6 t -78.24 -36.95 21.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 O-C-N 122.09 -0.381 . . . . 0.0 110.152 175.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -67.8 -29.98 69.29 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.505 0.593 . . . . 0.0 110.197 176.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.4 ttm-85 -71.54 -32.31 68.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.112 0.165 . . . . 0.0 110.735 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.5 t -73.88 -28.05 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-N 117.987 0.358 . . . . 0.0 110.206 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -72.65 -15.47 61.71 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.019 0.372 . . . . 0.0 110.698 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -86.03 5.46 33.37 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.804 0.442 . . . . 0.0 111.248 173.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.08 8.29 69.1 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-O 119.618 -0.546 . . . . 0.0 112.868 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -77.54 103.77 7.67 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 117.948 0.874 . . . . 0.0 109.632 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -79.83 -25.74 40.69 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.513 0.197 . . . . 0.0 110.641 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.635 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.1 mmpt? -72.16 -30.8 65.36 Favored 'General case' 0 CA--C 1.52 -0.184 0 O-C-N 121.92 -0.487 . . . . 0.0 109.73 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.79 -29.0 67.27 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -73.21 -30.87 63.81 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -64.66 -36.37 84.03 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.869 -0.519 . . . . 0.0 110.214 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.59 -26.74 62.73 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 176.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.4 tp -77.31 -28.86 53.39 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.6 t -73.53 -44.57 53.48 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.89 -23.56 33.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -73.84 -35.35 64.79 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -114.78 0.11 13.71 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 -176.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -60.08 -30.33 69.16 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.384 0.993 . . . . 0.0 112.918 -174.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -84.27 -28.11 27.41 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 118.375 0.534 . . . . 0.0 110.687 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.67 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 8.6 tmtt? -72.33 -45.94 57.72 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.446 0.699 . . . . 0.0 110.608 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.4 p -73.27 -31.57 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.255 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.03 -27.29 66.41 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 117.982 0.355 . . . . 0.0 110.343 178.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.4 m -81.49 -20.98 39.0 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.932 0.493 . . . . 0.0 110.875 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -85.74 -41.7 14.88 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 119.342 -0.361 . . . . 0.0 111.29 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.8 m -80.82 -23.23 10.96 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 CA-C-N 118.529 0.604 . . . . 0.0 111.309 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 98.0 p -62.87 -15.7 55.81 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.129 0.422 . . . . 0.0 111.074 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -77.17 -10.3 59.32 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.082 0.553 . . . . 0.0 111.296 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.439 ' CE2' HG23 ' A' ' 79' ' ' VAL . 40.9 m-85 -126.61 -19.51 4.55 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.41 153.3 81.57 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-N 118.454 0.57 . . . . 0.0 110.517 176.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.49 161.14 47.07 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.447 2.765 . . . . 0.0 109.843 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.4 p -60.16 -18.1 45.42 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.51 -15.2 81.37 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 119.289 -0.728 . . . . 0.0 112.319 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -118.65 -5.84 10.68 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 118.22 1.01 . . . . 0.0 112.445 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.434 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.3 t -57.52 -49.91 91.13 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-O 118.385 -0.817 . . . . 0.0 112.313 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 65.9 Cg_endo -67.88 -22.11 43.03 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 121.458 1.439 . . . . 0.0 112.015 -174.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -85.42 -31.29 22.95 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.18 0.445 . . . . 0.0 110.864 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.9 t -81.24 -28.95 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.8 t -72.4 -38.48 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -73.27 -26.8 61.24 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.44 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -80.4 -23.73 40.19 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 122.077 -0.389 . . . . 0.0 110.429 176.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.65 -33.59 62.55 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 122.24 -0.288 . . . . 0.0 111.418 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -83.12 -34.57 26.05 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 118.318 0.508 . . . . 0.0 111.068 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.19 -28.95 30.57 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 118.585 0.629 . . . . 0.0 109.792 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -74.4 -31.5 62.36 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.174 0.443 . . . . 0.0 110.03 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.28 -32.91 63.1 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -63.76 -36.77 84.95 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 117.925 0.33 . . . . 0.0 111.566 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -90.42 -9.32 47.96 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.22 -7.96 15.19 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 tt -73.7 -19.85 60.7 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 123.071 0.548 . . . . 0.0 110.683 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.68 -8.62 56.25 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.341 0.256 . . . . 0.0 110.324 174.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.4 m -114.6 9.23 16.52 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.872 0.869 . . . . 0.0 111.127 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -67.97 129.74 40.82 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -99.47 -14.76 18.95 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -174.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.22 21.08 76.49 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -67.8 -10.27 51.38 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.245 0.618 . . . . 0.0 110.999 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.5 t -156.91 172.86 17.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.437 1.095 . . . . 0.0 108.886 178.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.48 152.77 20.95 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -64.5 -31.76 73.11 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 121.951 -0.468 . . . . 0.0 111.962 -174.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.67 ' CZ ' ' HE3' ' A' ' 32' ' ' LYS . 63.1 t80 -70.1 -29.67 66.69 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.3 0.5 . . . . 0.0 110.732 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.6 m -65.76 -34.74 78.88 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -82.12 -32.33 30.21 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.003 0.521 . . . . 0.0 110.791 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.24 -34.16 72.52 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.68 -40.92 88.78 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 122.544 0.337 . . . . 0.0 110.17 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -64.79 -38.54 91.31 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 122.301 0.24 . . . . 0.0 111.425 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 48.5 mt -70.66 -36.93 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 118.081 0.4 . . . . 0.0 110.287 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.15 -38.81 69.11 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -175.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.439 HG23 ' CE2' ' A' ' 40' ' ' TYR . 14.7 p -77.37 -26.35 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.052 0 CA-C-N 118.302 0.501 . . . . 0.0 110.736 -179.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -82.89 -29.23 29.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.0 m -71.44 -39.88 70.72 Favored 'General case' 0 C--N 1.34 0.178 0 O-C-N 121.757 -0.589 . . . . 0.0 110.216 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.06 -28.11 61.24 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.302 -0.249 . . . . 0.0 111.548 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -83.91 -31.46 25.64 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 122.06 -0.4 . . . . 0.0 110.754 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -71.57 -22.84 61.69 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 175.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -73.83 -28.55 61.67 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.05 -0.406 . . . . 0.0 110.603 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.5 mt -75.63 -22.06 57.16 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 121.64 -0.663 . . . . 0.0 112.424 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.8 m . . . . . 0 CA--C 1.528 0.112 0 CA-C-N 118.394 0.543 . . . . 0.0 111.28 176.698 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.3 mtm . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 120.035 -0.031 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.5 p -149.56 162.91 39.23 Favored 'General case' 0 C--N 1.34 0.154 0 C-N-CA 122.844 0.458 . . . . 0.0 110.446 179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -152.7 154.68 35.77 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.833 0.453 . . . . 0.0 110.003 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -131.86 154.59 49.02 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.756 0.823 . . . . 0.0 109.584 177.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.423 ' N ' HD12 ' A' ' 5' ' ' LEU . 7.0 mp -87.85 56.03 3.72 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.051 0.453 . . . . 0.0 111.035 -175.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.9 p -70.56 172.44 8.54 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 176.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.34 -15.97 51.47 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.741 -0.599 . . . . 0.0 110.672 178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -72.19 -37.78 69.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.971 -0.456 . . . . 0.0 110.886 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.1 m -83.43 -26.55 7.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.193 0 CA-C-N 118.187 0.449 . . . . 0.0 110.001 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 21.9 tp -80.38 -31.2 37.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.166 -175.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.9 t -75.87 -36.03 31.56 Favored 'Isoleucine or valine' 0 C--N 1.338 0.077 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -72.55 -26.47 61.74 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 122.138 -0.351 . . . . 0.0 110.283 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -73.7 -30.1 62.67 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.157 -0.339 . . . . 0.0 110.71 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -75.44 -28.39 20.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 CA-C-N 117.96 0.346 . . . . 0.0 110.421 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -72.35 -15.95 61.87 Favored 'General case' 0 CA--C 1.527 0.084 0 O-C-N 121.822 -0.549 . . . . 0.0 110.858 175.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -83.98 6.06 23.34 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.61 0.364 . . . . 0.0 111.38 172.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.57 7.64 64.77 Favored Glycine 0 CA--C 1.527 0.794 0 CA-C-O 119.65 -0.528 . . . . 0.0 113.289 174.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -80.19 111.25 16.38 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 118.308 1.054 . . . . 0.0 110.091 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -80.2 -29.46 38.6 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 122.301 -0.249 . . . . 0.0 110.953 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.635 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.5 mmpt? -69.97 -30.44 67.8 Favored 'General case' 0 N--CA 1.457 -0.111 0 O-C-N 122.065 -0.397 . . . . 0.0 109.953 -178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.54 -29.92 70.11 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 176.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -74.38 -29.97 61.77 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.229 177.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -64.77 -35.78 82.17 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 122.097 -0.377 . . . . 0.0 110.641 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.86 -24.93 58.65 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.1 tp -75.28 -29.81 60.22 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -70.75 -45.05 75.58 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.83 -23.69 33.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 O-C-N 122.353 -0.217 . . . . 0.0 110.512 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.4 ttt180 -73.76 -35.89 65.06 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 122.847 0.459 . . . . 0.0 111.534 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -114.65 -2.61 13.03 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -175.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -58.95 -30.9 68.24 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 119.518 1.053 . . . . 0.0 112.849 -173.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -85.17 -29.03 25.09 Favored 'General case' 0 C--O 1.231 0.08 0 CA-C-N 118.089 0.404 . . . . 0.0 110.701 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -80.81 -33.62 34.63 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.987 0.515 . . . . 0.0 110.8 -176.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.5 p -79.28 -28.84 13.48 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.074 0 N-CA-C 110.243 -0.281 . . . . 0.0 110.243 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.13 -26.93 66.04 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.297 -0.252 . . . . 0.0 110.691 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.7 m -79.01 -21.99 46.14 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 122.899 0.48 . . . . 0.0 110.943 176.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.6 tp -83.78 -44.25 14.58 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.3 m -78.78 -22.24 12.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-N 118.812 0.733 . . . . 0.0 111.654 -176.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 94.0 p -62.03 -14.9 40.21 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.086 0.403 . . . . 0.0 110.779 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -79.35 -9.39 59.58 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.258 0.623 . . . . 0.0 111.29 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -126.91 -14.7 5.54 Favored 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 -177.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.7 m -136.31 153.34 76.35 Favored Pre-proline 0 CA--C 1.529 0.155 0 CA-C-N 118.418 0.554 . . . . 0.0 110.545 176.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.26 161.58 45.29 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 123.464 2.776 . . . . 0.0 109.955 176.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.2 t -58.61 -21.52 53.68 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 122.857 0.463 . . . . 0.0 112.154 -175.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.33 -14.2 80.95 Favored Glycine 0 CA--C 1.528 0.904 0 CA-C-O 119.426 -0.652 . . . . 0.0 112.715 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -118.34 -6.2 10.8 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 118.149 0.975 . . . . 0.0 112.16 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.426 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 54.1 t -57.29 -51.68 79.9 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-O 118.497 -0.763 . . . . 0.0 111.965 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.426 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.6 Cg_endo -67.11 -22.55 47.15 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 121.372 1.381 . . . . 0.0 111.907 -174.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -84.66 -32.13 23.79 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.033 0.378 . . . . 0.0 110.784 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 54.7 t -80.76 -29.55 11.72 Favored 'Isoleucine or valine' 0 C--O 1.231 0.097 0 C-N-CA 122.519 0.328 . . . . 0.0 110.238 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.7 t -70.85 -38.44 72.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -72.59 -27.84 62.42 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -77.94 -24.19 48.3 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.195 -0.316 . . . . 0.0 110.404 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.35 -31.32 58.01 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 122.066 -0.396 . . . . 0.0 111.133 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -81.9 -32.44 30.94 Favored 'General case' 0 C--N 1.341 0.198 0 O-C-N 122.032 -0.418 . . . . 0.0 110.975 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.54 -30.44 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 O-C-N 121.695 -0.628 . . . . 0.0 110.227 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -73.4 -32.5 64.48 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 176.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -76.37 -29.66 57.27 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.76 -0.2 . . . . 0.0 110.556 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 57.1 t80 -62.6 -42.32 99.5 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 118.263 0.483 . . . . 0.0 111.143 -177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -92.07 -6.42 51.02 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.21 -7.2 16.06 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 112.412 0.523 . . . . 0.0 112.412 176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tt -72.31 -18.56 61.77 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 122.963 0.505 . . . . 0.0 110.445 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.77 -7.55 51.16 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.19 -0.319 . . . . 0.0 110.413 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -113.87 7.76 17.1 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.967 0.907 . . . . 0.0 110.748 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -69.25 131.32 44.7 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 86.3 mtm-85 -99.46 -14.49 19.08 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.64 21.06 77.72 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.554 -0.619 . . . . 0.0 111.554 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -68.37 -10.31 54.16 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.119 0.568 . . . . 0.0 111.367 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.9 t -157.55 174.12 15.85 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.207 1.003 . . . . 0.0 109.088 177.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.5 155.62 11.86 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 122.806 0.442 . . . . 0.0 110.013 176.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.24 -33.56 76.1 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -172.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -72.42 -25.18 61.38 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 119.985 -0.686 . . . . 0.0 110.959 -178.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.401 HG23 ' H62' ' B' ' 7' ' ' ' DA' . 16.1 m -65.54 -35.59 81.29 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -81.99 -33.6 30.07 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.254 0.622 . . . . 0.0 110.492 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.43 -33.93 71.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -64.8 -42.22 95.2 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.4 mmt85 -68.06 -33.89 75.41 Favored 'General case' 0 C--N 1.341 0.209 0 CA-C-O 119.579 -0.248 . . . . 0.0 111.438 -178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.5 mt -74.99 -37.44 41.14 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.143 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.22 -39.84 74.86 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.1 p -71.97 -34.69 51.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.173 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -78.39 -23.11 46.95 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 119.403 -0.332 . . . . 0.0 110.859 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.5 m -74.74 -38.66 62.2 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-N 118.755 0.707 . . . . 0.0 109.318 175.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.79 -31.06 61.63 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.368 -0.208 . . . . 0.0 111.043 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -81.77 -28.01 33.47 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 122.136 -0.353 . . . . 0.0 111.295 178.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -73.54 -21.14 60.46 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 118.068 0.394 . . . . 0.0 110.193 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -75.86 -31.92 59.5 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.563 0.345 . . . . 0.0 111.062 176.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.71 -28.41 62.65 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.181 -0.324 . . . . 0.0 111.402 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 32.9 m -91.82 -15.58 8.22 Favored 'Isoleucine or valine' 0 C--N 1.337 0.046 0 CA-C-N 117.809 0.277 . . . . 0.0 111.509 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.42 -20.56 60.7 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.097 0.159 . . . . 0.0 110.595 176.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.7 mt-30 -108.29 -20.47 13.13 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.966 0.506 . . . . 0.0 111.284 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.94 -12.31 81.37 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 112.405 -0.278 . . . . 0.0 112.405 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 41.9 ptt180 -90.5 12.05 19.86 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 123.396 0.678 . . . . 0.0 112.037 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 70.9 ttp85 -61.96 -14.99 40.1 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.834 0.853 . . . . 0.0 111.908 -177.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.6 pp -130.31 16.89 5.49 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.144 0.578 . . . . 0.0 111.503 177.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -119.09 0.88 11.35 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 123.469 0.708 . . . . 0.0 111.059 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 35.4 tp -127.85 -5.75 5.67 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.412 0.685 . . . . 0.0 111.053 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.249 1.05 0 CA-C-O 117.319 -1.324 . . . . 0.0 110.47 -179.579 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 1 O4'-C1'-N19 111.917 5.146 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.843 1 O4'-C1'-N19 111.729 4.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.451 0 P-O3'-C3' 122.246 2.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.304 0 O4'-C4'-C3' 109.195 3.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 0 O4'-C1'-N19 110.068 2.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.341 1 O4'-C1'-N19 111.749 4.936 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.401 ' H62' HG23 ' A' ' 72' ' ' THR . . . . . . . . 0 C5'--C4' 1.53 2.367 0 O4'-C1'-N19 110.841 3.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.6 ttp . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -150.77 164.66 35.66 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 122.913 0.485 . . . . 0.0 110.279 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -85.63 5.66 30.85 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.007 0.523 . . . . 0.0 110.61 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -129.7 165.85 21.02 Favored 'General case' 0 C--O 1.231 0.123 0 C-N-CA 124.024 0.93 . . . . 0.0 109.868 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mp -80.92 79.91 7.5 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.8 p -77.1 178.0 7.37 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.588 0.755 . . . . 0.0 110.574 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.17 -14.95 28.87 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 122.587 0.355 . . . . 0.0 111.58 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -72.31 -43.38 64.27 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.779 -0.575 . . . . 0.0 110.747 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.1 m -84.47 -24.34 7.4 Favored 'Isoleucine or valine' 0 C--N 1.339 0.148 0 O-C-N 122.007 -0.433 . . . . 0.0 110.501 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.5 tp -77.07 -28.85 54.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.878 -0.146 . . . . 0.0 110.729 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.9 t -76.95 -36.68 25.68 Favored 'Isoleucine or valine' 0 C--O 1.23 0.074 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 175.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -70.94 -26.15 63.05 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 121.882 -0.511 . . . . 0.0 110.193 177.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -75.87 -28.05 58.01 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 122.604 0.361 . . . . 0.0 110.918 178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.8 t -78.43 -28.89 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 CA-C-N 117.94 0.336 . . . . 0.0 110.188 175.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -70.96 -15.49 62.59 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.162 0.437 . . . . 0.0 109.99 174.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -78.44 -2.23 37.47 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.917 0.487 . . . . 0.0 110.63 173.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.05 10.04 63.04 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 123.357 0.503 . . . . 0.0 112.632 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -81.45 112.52 18.78 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.047 0.924 . . . . 0.0 110.503 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -80.08 -27.79 39.22 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.475 0.31 . . . . 0.0 110.913 178.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.633 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.8 mmpt? -66.6 -32.18 73.35 Favored 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.19 -28.82 62.41 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.702 -0.226 . . . . 0.0 110.768 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -75.45 -34.2 60.94 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 120.568 -0.453 . . . . 0.0 109.861 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -59.57 -37.51 78.69 Favored 'General case' 0 N--CA 1.452 -0.326 0 O-C-N 122.1 -0.375 . . . . 0.0 110.772 175.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.62 -23.62 58.73 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.378 0.536 . . . . 0.0 110.359 176.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.6 tp -75.78 -28.8 58.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.6 t -72.12 -46.18 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 174.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.3 -23.39 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 117.811 0.278 . . . . 0.0 110.818 -179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -72.28 -38.85 68.71 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.018 0.527 . . . . 0.0 111.586 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.6 m-85 -114.37 -1.19 13.58 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -174.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -58.75 -30.96 67.9 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 119.418 1.008 . . . . 0.0 112.96 -174.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -86.93 -27.19 23.5 Favored 'General case' 0 C--N 1.339 0.119 0 CA-C-N 118.549 0.613 . . . . 0.0 111.249 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -80.46 -34.75 35.71 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.33 0.252 . . . . 0.0 110.412 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.0 p -79.56 -29.07 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 110.54 -0.17 . . . . 0.0 110.54 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.37 -25.23 64.07 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 122.177 -0.327 . . . . 0.0 110.341 176.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.7 m -79.45 -21.85 44.93 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 122.937 0.495 . . . . 0.0 110.267 176.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.7 tp -84.86 -45.63 12.09 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.9 m -77.19 -22.24 14.47 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.04 0 C-N-CA 119.99 -0.684 . . . . 0.0 111.543 -176.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.8 p -62.24 -14.57 39.71 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.772 0.26 . . . . 0.0 110.954 177.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -78.4 -9.82 59.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.319 0.648 . . . . 0.0 111.332 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -126.74 -14.67 5.63 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -177.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.7 m -136.63 152.93 75.46 Favored Pre-proline 0 N--CA 1.464 0.237 0 CA-C-N 118.37 0.532 . . . . 0.0 110.599 176.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -69.94 160.41 49.75 Favored 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.466 2.778 . . . . 0.0 109.797 176.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.5 m -59.2 -15.25 13.96 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.573 0.749 . . . . 0.0 112.828 -175.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.4 -15.14 80.5 Favored Glycine 0 CA--C 1.526 0.754 0 CA-C-O 119.394 -0.67 . . . . 0.0 112.491 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -118.73 -4.76 10.71 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 117.962 0.881 . . . . 0.0 112.144 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.443 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 56.1 t -57.45 -50.19 89.57 Favored Pre-proline 0 CA--C 1.529 0.151 0 CA-C-O 118.247 -0.882 . . . . 0.0 112.333 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.443 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.9 Cg_endo -67.16 -22.03 47.64 Favored 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 121.491 1.46 . . . . 0.0 111.982 -174.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -84.5 -31.77 24.31 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 118.15 0.432 . . . . 0.0 110.694 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 73.7 t -80.88 -29.62 11.58 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 C-N-CA 122.357 0.263 . . . . 0.0 110.374 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.7 t -72.2 -38.12 61.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 176.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -73.25 -27.06 61.37 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.311 -177.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -78.53 -24.14 45.87 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.123 -0.36 . . . . 0.0 110.286 176.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.69 -30.5 56.74 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 122.263 -0.273 . . . . 0.0 111.302 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -82.55 -34.92 27.65 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 118.06 0.391 . . . . 0.0 110.922 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.64 -28.48 27.85 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 CA-C-N 118.516 0.598 . . . . 0.0 110.095 178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -75.31 -31.63 60.72 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 175.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.31 -32.9 64.88 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 176.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -63.65 -40.14 96.12 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.214 0.461 . . . . 0.0 111.527 -178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -85.61 -9.95 56.53 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.36 -7.44 14.8 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.4 tt -73.59 -19.99 60.73 Favored 'General case' 0 CA--C 1.527 0.072 0 C-N-CA 122.653 0.381 . . . . 0.0 110.746 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.38 -8.54 55.55 Favored 'General case' 0 CA--C 1.534 0.335 0 O-C-N 122.084 -0.385 . . . . 0.0 110.2 174.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.9 m -114.85 6.08 15.35 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.043 0.937 . . . . 0.0 111.082 178.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -68.04 131.3 45.2 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -99.41 -17.45 17.97 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.94 22.72 68.18 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 111.347 -0.701 . . . . 0.0 111.347 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -67.87 -9.33 43.81 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.148 0.579 . . . . 0.0 110.716 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.0 t -156.53 173.19 17.28 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.212 1.005 . . . . 0.0 108.834 175.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.69 154.51 11.53 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -62.65 -34.38 76.96 Favored 'General case' 0 N--CA 1.452 -0.365 0 O-C-N 121.815 -0.553 . . . . 0.0 112.36 -172.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -75.62 -19.6 59.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 119.961 -0.696 . . . . 0.0 111.752 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.412 HG23 ' H62' ' B' ' 7' ' ' ' DA' . 18.8 m -69.23 -34.64 75.14 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 76.0 t90 -82.3 -29.03 31.37 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.166 0.586 . . . . 0.0 110.751 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -74.44 -40.19 62.11 Favored 'General case' 0 CA--C 1.529 0.165 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -62.44 -37.73 87.0 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -68.5 -36.93 79.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.684 0.794 . . . . 0.0 111.059 -177.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.4 mt -77.42 -37.01 24.49 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.148 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 178.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.27 -38.76 82.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -175.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.431 HG22 ' HE2' ' A' ' 83' ' ' LYS . 9.0 p -72.86 -36.54 52.29 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 C-N-CA 120.405 -0.518 . . . . 0.0 109.885 177.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -76.64 -18.3 58.67 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 119.432 -0.318 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.4 m -79.78 -38.59 32.77 Favored 'General case' 0 N--CA 1.457 -0.117 0 CA-C-N 118.73 0.695 . . . . 0.0 109.496 174.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.07 -31.49 62.86 Favored 'General case' 0 N--CA 1.45 -0.43 0 O-C-N 122.295 -0.253 . . . . 0.0 110.731 178.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.431 ' HE2' HG22 ' A' ' 79' ' ' VAL . 47.8 mtmt -76.45 -30.81 57.5 Favored 'General case' 0 N--CA 1.457 -0.118 0 O-C-N 121.834 -0.541 . . . . 0.0 110.746 176.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -71.73 -22.43 61.62 Favored 'General case' 0 CA--C 1.527 0.078 0 CA-C-N 118.022 0.374 . . . . 0.0 110.107 176.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -76.02 -26.53 56.73 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.346 0.258 . . . . 0.0 110.897 177.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.4 mt -81.2 -21.21 39.78 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.665 -0.647 . . . . 0.0 112.192 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.9 m -96.22 -15.99 7.37 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.076 0 CA-C-N 118.054 0.388 . . . . 0.0 111.229 178.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.96 -25.5 43.49 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 122.279 0.232 . . . . 0.0 110.729 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -104.91 -14.92 15.3 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.033 0.533 . . . . 0.0 110.802 176.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.01 -15.62 76.83 Favored Glycine 0 CA--C 1.528 0.85 0 CA-C-O 119.968 -0.351 . . . . 0.0 112.225 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.7 ptm180 -95.95 -0.75 50.36 Favored 'General case' 0 CA--C 1.527 0.082 0 CA-C-N 117.195 0.498 . . . . 0.0 112.122 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -80.54 -3.31 49.72 Favored 'General case' 0 N--CA 1.461 0.102 0 C-N-CA 122.652 0.381 . . . . 0.0 111.858 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.3 pp -139.55 16.8 2.54 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.948 0.499 . . . . 0.0 111.464 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -130.17 -7.88 4.32 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.282 0.633 . . . . 0.0 111.108 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 45.0 tp -79.26 -11.86 59.95 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.861 0.465 . . . . 0.0 110.82 178.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.248 1.018 0 CA-C-O 116.978 -1.487 . . . . 0.0 110.841 -179.038 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.402 " H3'" H5'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.416 -2.714 1 O4'-C1'-N19 113.062 6.577 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.402 H5'' " H3'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.328 1 O4'-C1'-N19 111.031 4.039 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.629 0 O4'-C1'-N19 110.555 3.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 0 O4'-C4'-C3' 108.979 3.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.177 0 O4'-C1'-N19 109.922 2.653 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.503 1 O4'-C1'-N19 111.121 4.151 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.412 ' H62' HG23 ' A' ' 72' ' ' THR . . . . . . . . 0 C5'--C4' 1.529 2.199 1 O4'-C1'-N19 111.574 4.718 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp . . . . . 0 N--CA 1.477 0.881 0 CA-C-O 120.294 0.092 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 57.63 -176.32 0.07 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.825 0.85 . . . . 0.0 112.16 -177.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 53.43 21.42 2.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.354 1.061 . . . . 0.0 112.864 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -146.28 145.74 30.48 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.954 0.501 . . . . 0.0 109.945 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mp -88.79 82.84 6.71 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p -73.4 175.96 6.47 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 123.396 0.678 . . . . 0.0 110.483 178.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -61.75 -14.81 35.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.132 -0.355 . . . . 0.0 111.702 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -73.67 -44.94 55.36 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 121.703 -0.623 . . . . 0.0 110.489 -178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.8 m -84.17 -23.24 7.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-N 117.804 0.274 . . . . 0.0 110.692 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.6 tp -77.7 -28.6 51.0 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 110.473 -0.195 . . . . 0.0 110.473 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 44.9 t -76.04 -38.24 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -66.37 -29.04 69.13 Favored 'General case' 0 CA--C 1.528 0.102 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 177.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -79.16 -30.12 43.39 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.333 0.253 . . . . 0.0 111.353 -178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 51.9 t -76.28 -37.78 32.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.116 0 CA-C-N 118.162 0.437 . . . . 0.0 111.291 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -76.07 -15.17 60.16 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.31 0.504 . . . . 0.0 111.291 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -79.3 2.84 19.96 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.777 0.431 . . . . 0.0 111.641 170.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.23 5.62 40.13 Favored Glycine 0 CA--C 1.527 0.822 0 CA-C-O 119.03 -0.872 . . . . 0.0 114.827 171.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -85.38 109.84 18.71 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 118.945 1.372 . . . . 0.0 110.344 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -80.24 -29.18 38.4 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 121.947 -0.471 . . . . 0.0 111.115 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.61 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.8 mmpt? -71.27 -30.99 66.96 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.89 -26.93 67.85 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -75.67 -31.07 59.6 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.49 -35.28 79.94 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 122.135 -0.353 . . . . 0.0 110.335 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.22 -26.22 60.12 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 122.239 -0.288 . . . . 0.0 110.325 176.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.7 tp -75.24 -28.24 59.79 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 122.425 0.29 . . . . 0.0 110.242 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.8 t -72.35 -45.41 60.62 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.3 t -64.62 -23.7 33.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 O-C-N 122.202 -0.311 . . . . 0.0 110.685 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -72.58 -37.71 68.09 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.264 0.625 . . . . 0.0 111.903 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -114.68 -1.4 13.32 Favored 'General case' 0 C--O 1.23 0.068 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 -175.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -58.85 -32.16 69.18 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 119.338 0.972 . . . . 0.0 113.044 -173.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -86.74 -26.69 24.07 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.024 0.375 . . . . 0.0 111.01 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -81.54 -33.27 31.86 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.558 0.343 . . . . 0.0 110.609 -177.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.8 p -79.8 -29.33 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 178.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.77 -28.57 66.91 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.083 -0.385 . . . . 0.0 110.854 177.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.5 m -78.33 -22.32 48.26 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 122.205 0.202 . . . . 0.0 110.689 176.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.5 tp -82.24 -43.84 17.09 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-O 119.39 -0.338 . . . . 0.0 111.686 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.2 m -78.41 -20.24 13.31 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.05 0 CA-C-N 118.75 0.705 . . . . 0.0 111.186 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 42.5 t -61.69 -16.14 46.4 Favored 'General case' 0 CA--C 1.528 0.117 0 CA-C-O 120.714 0.292 . . . . 0.0 110.528 176.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -78.88 -12.35 60.03 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.081 0.552 . . . . 0.0 111.448 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -126.94 -13.37 5.77 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -175.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 m -136.42 154.59 77.05 Favored Pre-proline 0 N--CA 1.463 0.21 0 CA-C-N 118.709 0.686 . . . . 0.0 111.2 176.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -58.85 156.27 33.97 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.628 2.885 . . . . 0.0 111.011 174.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.3 p -62.24 -17.94 59.79 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.58 -13.14 83.52 Favored Glycine 0 CA--C 1.529 0.943 0 CA-C-O 119.595 -0.558 . . . . 0.0 112.149 177.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -117.0 -4.49 11.5 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.044 0.922 . . . . 0.0 111.839 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.435 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 46.6 t -58.24 -51.19 83.62 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-O 118.281 -0.866 . . . . 0.0 112.002 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 59.9 Cg_endo -66.83 -23.1 48.33 Favored 'Trans proline' 0 N--CA 1.455 -0.771 0 C-N-CA 121.546 1.497 . . . . 0.0 112.12 -174.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -84.39 -31.95 24.43 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 117.97 0.35 . . . . 0.0 110.774 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.2 t -81.8 -29.19 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 C-N-CA 122.427 0.291 . . . . 0.0 110.305 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.2 t -70.32 -38.65 74.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -71.59 -28.08 63.58 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.314 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -78.28 -24.62 46.71 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 122.171 -0.331 . . . . 0.0 110.258 176.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.57 -30.79 52.74 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 122.257 -0.277 . . . . 0.0 111.214 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -80.56 -34.38 35.41 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 117.905 0.32 . . . . 0.0 110.847 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.86 -29.66 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 118.598 0.636 . . . . 0.0 110.502 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -73.3 -32.25 64.51 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 175.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.79 -35.19 62.52 Favored 'General case' 0 N--CA 1.45 -0.442 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 177.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -61.26 -37.6 83.7 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 118.279 0.49 . . . . 0.0 111.509 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -90.5 -9.93 45.47 Favored 'General case' 0 CA--C 1.528 0.097 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.45 -6.25 15.5 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.2 tt -73.41 -22.99 60.09 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.183 0.593 . . . . 0.0 111.146 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -69.31 -10.16 56.57 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.06 -0.4 . . . . 0.0 110.568 176.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.5 m -109.18 6.9 25.18 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.861 0.864 . . . . 0.0 110.915 178.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -67.75 132.1 46.8 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -99.55 -16.34 18.32 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.43 22.1 71.12 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -68.53 -9.13 47.22 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.048 0.539 . . . . 0.0 111.051 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.7 t -157.4 174.15 15.84 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.03 0.932 . . . . 0.0 108.833 176.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.47 155.06 12.73 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -63.71 -33.19 75.1 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -173.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -74.46 -22.59 59.03 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 120.0 -0.68 . . . . 0.0 111.321 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.1 m -67.91 -33.86 75.53 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 72.7 t90 -82.05 -33.82 29.74 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.24 0.616 . . . . 0.0 110.482 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.69 -35.09 72.62 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -64.41 -39.78 94.51 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 122.867 0.467 . . . . 0.0 110.061 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -67.59 -36.63 81.24 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 117.431 0.105 . . . . 0.0 110.895 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.6 mt -74.67 -36.23 39.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 110.148 -0.315 . . . . 0.0 110.148 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.67 -38.75 73.8 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 117.891 0.314 . . . . 0.0 111.746 -175.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.3 p -72.72 -32.61 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.095 0 CA-C-N 118.146 0.43 . . . . 0.0 110.061 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -82.53 -22.03 35.16 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 119.411 -0.328 . . . . 0.0 111.202 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.5 m -75.85 -38.97 57.46 Favored 'General case' 0 N--CA 1.457 -0.11 0 CA-C-N 118.85 0.75 . . . . 0.0 109.308 175.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.65 -28.15 58.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 122.279 -0.263 . . . . 0.0 110.836 179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.7 ttpp -81.65 -32.36 31.9 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.015 -0.428 . . . . 0.0 110.884 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -71.64 -21.1 61.87 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 175.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.1 t80 -74.63 -27.29 60.38 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 122.226 -0.296 . . . . 0.0 110.737 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.45 -21.14 53.41 Favored 'General case' 0 C--N 1.338 0.108 0 O-C-N 121.831 -0.543 . . . . 0.0 112.279 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.5 m -96.3 -14.9 7.7 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.129 0 CA-C-N 118.419 0.554 . . . . 0.0 111.162 176.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.54 -21.49 48.68 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.028 -0.42 . . . . 0.0 110.788 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -114.06 -15.13 12.32 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.094 0.558 . . . . 0.0 110.707 176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.83 -13.17 80.21 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 112.074 -0.411 . . . . 0.0 112.074 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 40.3 mmt180 -100.83 3.47 42.02 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 117.391 0.596 . . . . 0.0 111.427 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 68.7 mtt-85 -87.71 -17.93 30.63 Favored 'General case' 0 C--N 1.338 0.095 0 C-N-CA 123.47 0.708 . . . . 0.0 111.778 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 81.5 mt -137.85 32.28 2.46 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.682 0.793 . . . . 0.0 110.293 -172.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.74 -12.1 51.09 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.436 0.695 . . . . 0.0 111.134 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.413 ' N ' HD22 ' A' ' 95' ' ' LEU . 3.3 mm? -80.9 5.04 17.34 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.463 0.705 . . . . 0.0 111.24 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 50.0 t . . . . . 0 C--O 1.25 1.101 0 CA-C-O 117.136 -1.412 . . . . 0.0 110.105 -178.926 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.704 1 O4'-C1'-N19 111.81 5.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.475 1 O4'-C1'-N19 111.839 5.049 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.615 0 O4'-C1'-N19 110.627 3.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.428 0 O4'-C4'-C3' 109.243 3.643 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 O4'-C1'-N19 110.046 2.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.544 1 O4'-C1'-N19 111.464 4.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.2 0 O4'-C1'-N19 110.753 3.691 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 N--CA 1.477 0.889 0 CA-C-O 120.364 0.126 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.8 m 55.88 27.19 10.64 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.707 0.803 . . . . 0.0 112.684 -176.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -87.59 165.15 15.66 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.51 0.724 . . . . 0.0 110.692 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -145.12 155.49 43.34 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 123.087 0.555 . . . . 0.0 110.504 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.8 mp -94.19 79.9 4.01 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 122.762 0.425 . . . . 0.0 109.974 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.7 p -66.8 167.99 10.41 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 175.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -64.58 -17.97 64.45 Favored 'General case' 0 N--CA 1.455 -0.186 0 O-C-N 121.93 -0.481 . . . . 0.0 111.155 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -76.35 -46.82 25.77 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 122.151 -0.343 . . . . 0.0 110.543 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p -80.96 -27.02 10.9 Favored 'Isoleucine or valine' 0 C--O 1.231 0.102 0 CA-C-N 117.891 0.314 . . . . 0.0 110.678 -178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.0 tp -70.98 -27.52 63.77 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.1 t -77.88 -34.52 19.71 Favored 'Isoleucine or valine' 0 C--N 1.34 0.159 0 O-C-N 122.33 -0.231 . . . . 0.0 110.469 175.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.79 -29.64 68.87 Favored 'General case' 0 C--N 1.337 0.059 0 O-C-N 121.83 -0.544 . . . . 0.0 109.884 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -71.53 -31.63 67.26 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -74.4 -29.46 24.24 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.132 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -71.38 -15.43 62.37 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.235 0.47 . . . . 0.0 110.889 176.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -84.32 4.62 30.32 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.666 0.387 . . . . 0.0 111.149 173.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.94 7.25 64.51 Favored Glycine 0 CA--C 1.526 0.744 0 CA-C-O 119.451 -0.638 . . . . 0.0 112.868 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -79.7 108.19 13.05 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 118.261 1.03 . . . . 0.0 109.94 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.1 tm0? -80.16 -25.05 39.97 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.225 -0.297 . . . . 0.0 110.467 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.625 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -73.15 -30.37 63.54 Favored 'General case' 0 N--CA 1.456 -0.127 0 O-C-N 122.093 -0.379 . . . . 0.0 110.167 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.79 -28.33 67.5 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.749 -0.464 . . . . 0.0 109.749 175.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -74.43 -30.45 61.91 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 120.831 -0.347 . . . . 0.0 110.092 177.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -65.67 -36.14 82.79 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.834 -0.541 . . . . 0.0 110.28 179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.63 -26.95 61.86 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 176.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.4 tp -75.39 -29.5 59.85 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.685 0.394 . . . . 0.0 110.133 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.5 t -72.08 -46.18 59.97 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.098 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 175.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 79.7 t -63.79 -23.7 33.99 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.151 0 O-C-N 122.252 -0.28 . . . . 0.0 110.537 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.1 ttm180 -75.55 -32.77 60.56 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 122.779 0.432 . . . . 0.0 111.803 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -116.19 -2.74 12.11 Favored 'General case' 0 C--O 1.228 -0.059 0 N-CA-C 114.164 1.172 . . . . 0.0 114.164 -176.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -59.04 -31.9 69.26 Favored 'General case' 0 CA--C 1.527 0.086 0 CA-C-N 119.18 0.9 . . . . 0.0 112.87 -172.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.2 p-80 -85.44 -27.03 26.0 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.115 0.416 . . . . 0.0 111.037 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -81.52 -34.79 31.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 110.394 -0.225 . . . . 0.0 110.394 -177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.6 p -78.68 -29.89 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 110.537 -0.172 . . . . 0.0 110.537 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.0 -26.75 66.06 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 66.3 m -79.31 -22.01 45.18 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 122.688 0.395 . . . . 0.0 110.853 175.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.9 tp -83.5 -43.33 15.88 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 119.457 -0.306 . . . . 0.0 111.804 177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 m -80.49 -21.45 11.47 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.059 0 CA-C-N 118.777 0.717 . . . . 0.0 111.639 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.9 p -63.38 -15.6 57.99 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 118.102 0.41 . . . . 0.0 110.862 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -75.56 -11.6 60.05 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.141 0.576 . . . . 0.0 110.904 177.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -126.95 -13.16 5.8 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -174.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.6 m -137.07 155.43 76.13 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 118.633 0.651 . . . . 0.0 111.31 176.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.2 157.41 35.13 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 123.613 2.875 . . . . 0.0 110.97 174.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.1 p -62.1 -18.54 61.09 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 111.628 0.232 . . . . 0.0 111.628 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.67 -12.96 83.68 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.523 -0.599 . . . . 0.0 112.324 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -117.9 -3.93 11.14 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 118.07 0.935 . . . . 0.0 111.957 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.444 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.9 t -58.01 -50.54 87.54 Favored Pre-proline 0 CA--C 1.531 0.225 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.724 177.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.444 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.5 Cg_endo -66.59 -22.72 50.57 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 CA-C-N 120.709 1.289 . . . . 0.0 111.865 -175.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -82.6 -32.6 28.32 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 122.012 -0.43 . . . . 0.0 110.633 178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 77.6 t -82.57 -27.8 8.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 122.621 0.368 . . . . 0.0 110.539 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.0 t -72.55 -34.98 49.67 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -74.48 -21.09 59.75 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 121.177 -0.209 . . . . 0.0 110.534 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -84.73 -21.25 30.15 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.048 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.24 -34.56 28.79 Favored 'General case' 0 N--CA 1.454 -0.253 0 O-C-N 122.166 -0.334 . . . . 0.0 111.461 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -80.59 -32.85 36.34 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 118.097 0.408 . . . . 0.0 110.92 177.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.16 -28.3 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -74.63 -31.79 62.1 Favored 'General case' 0 C--N 1.339 0.115 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.48 -35.7 63.28 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 177.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -62.95 -37.56 87.54 Favored 'General case' 0 N--CA 1.456 -0.129 0 CA-C-N 118.15 0.432 . . . . 0.0 111.44 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -87.92 -9.81 52.49 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.18 -6.85 15.42 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 177.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 tt -74.72 -18.89 60.43 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.56 0.744 . . . . 0.0 111.074 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -70.41 -8.76 53.31 Favored 'General case' 0 CA--C 1.532 0.27 0 O-C-N 122.225 -0.297 . . . . 0.0 110.414 175.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.4 m -114.94 8.58 15.91 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.864 0.866 . . . . 0.0 111.159 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -67.58 131.8 46.33 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -99.45 -18.57 17.39 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 123.154 0.582 . . . . 0.0 112.499 -174.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.15 21.23 74.03 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.696 -0.562 . . . . 0.0 111.696 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -69.38 -7.91 41.77 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.34 0.656 . . . . 0.0 111.368 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.3 t -158.05 173.08 17.29 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.0 0.92 . . . . 0.0 109.272 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.45 152.66 21.08 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 175.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -63.78 -33.3 75.36 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -172.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -73.46 -22.16 60.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 118.822 0.737 . . . . 0.0 111.151 -177.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.6 m -68.56 -34.3 75.58 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 73.6 t90 -81.95 -32.07 30.94 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.169 0.587 . . . . 0.0 110.227 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.23 -35.52 71.49 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 178.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -64.18 -39.77 94.7 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -67.31 -36.44 81.5 Favored 'General case' 0 C--N 1.339 0.121 0 CA-C-O 119.714 -0.184 . . . . 0.0 110.764 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.15 -38.11 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.77 -40.25 79.79 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 118.097 0.408 . . . . 0.0 111.904 -174.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.1 p -73.33 -34.66 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.049 0 CA-C-N 118.177 0.444 . . . . 0.0 110.413 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -80.4 -16.87 53.46 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 119.414 -0.327 . . . . 0.0 111.25 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.5 m -82.63 -39.6 21.92 Favored 'General case' 0 CA--C 1.523 -0.083 0 CA-C-N 118.422 0.555 . . . . 0.0 109.524 174.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.73 -30.84 64.5 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 122.44 -0.163 . . . . 0.0 110.817 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -81.06 -27.03 35.88 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.269 -0.269 . . . . 0.0 111.278 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -75.14 -23.18 57.78 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -74.13 -32.34 63.13 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 121.876 -0.515 . . . . 0.0 110.905 176.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.7 mt -71.99 -30.34 65.14 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.039 -0.413 . . . . 0.0 111.332 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.1 m -91.65 -16.72 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.065 0 CA-C-N 117.715 0.234 . . . . 0.0 111.37 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.03 -19.5 60.61 Favored 'General case' 0 N--CA 1.457 -0.109 0 O-C-N 122.295 -0.253 . . . . 0.0 110.632 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -109.87 -20.44 12.77 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 122.709 0.404 . . . . 0.0 111.301 176.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.04 -15.86 73.74 Favored Glycine 0 CA--C 1.527 0.834 0 CA-C-O 119.965 -0.353 . . . . 0.0 112.234 -179.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -101.93 11.62 38.26 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 117.629 0.715 . . . . 0.0 111.793 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 50.6 tpt85 -69.66 -22.59 63.44 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.1 mt -132.76 -15.62 2.67 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 124.063 0.945 . . . . 0.0 110.27 174.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 52.74 23.35 2.68 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.753 1.221 . . . . 0.0 112.524 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 49.7 tp -145.0 -23.38 0.5 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.153 0.581 . . . . 0.0 111.448 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.251 1.155 0 CA-C-O 116.559 -1.686 . . . . 0.0 111.48 179.565 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.599 1 O4'-C1'-N19 112.225 5.531 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.612 " H1'" ' C6 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.883 1 O4'-C1'-N19 112.287 5.608 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.612 ' C6 ' " H1'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.42 -2.373 1 C5'-C4'-C3' 108.54 -4.106 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.467 0 O4'-C4'-C3' 109.028 3.428 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.974 0 O4'-C1'-N19 109.72 2.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.528 1 O4'-C1'-N19 111.782 4.978 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.342 1 O4'-C1'-N19 111.054 4.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.7 ttp . . . . . 0 N--CA 1.474 0.75 0 N-CA-C 110.61 -0.144 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.5 p -149.69 168.92 22.27 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.41 0.684 . . . . 0.0 110.58 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -127.71 3.35 6.09 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.712 0.405 . . . . 0.0 111.33 179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -149.97 146.55 27.09 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.704 0.801 . . . . 0.0 109.048 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.7 mp -87.49 83.32 7.29 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.6 p -68.94 173.13 5.67 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.321 0.648 . . . . 0.0 110.23 177.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.08 -14.87 53.6 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 122.242 -0.286 . . . . 0.0 111.078 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.53 -52.31 14.01 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 m -77.15 -25.99 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 117.842 0.292 . . . . 0.0 110.838 -177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 29.1 tp -74.18 -28.37 61.26 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.0 t -77.55 -35.12 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 175.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -70.74 -28.53 64.78 Favored 'General case' 0 C--N 1.338 0.074 0 O-C-N 121.91 -0.494 . . . . 0.0 110.523 176.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -72.51 -30.29 64.36 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 122.29 -0.256 . . . . 0.0 110.473 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 81.5 t -75.31 -28.43 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 175.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -72.09 -15.74 62.01 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 122.024 -0.422 . . . . 0.0 110.893 176.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -83.98 4.3 30.39 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.49 0.316 . . . . 0.0 110.93 173.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.47 6.88 63.91 Favored Glycine 0 CA--C 1.527 0.833 0 CA-C-O 119.768 -0.462 . . . . 0.0 112.848 175.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -78.76 108.76 12.43 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.249 1.024 . . . . 0.0 109.66 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.6 tm0? -80.12 -26.84 39.3 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.625 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.6 mmpt? -72.3 -30.17 64.54 Favored 'General case' 0 CA--C 1.522 -0.111 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.42 -28.37 67.84 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -74.8 -29.92 61.25 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -65.84 -35.33 80.37 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 122.054 -0.404 . . . . 0.0 110.273 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.36 -25.25 59.4 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 122.02 -0.425 . . . . 0.0 109.926 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.8 tp -76.38 -29.68 57.22 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.3 t -71.51 -46.1 65.06 Favored 'Isoleucine or valine' 0 C--N 1.339 0.123 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 175.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.9 t -64.32 -23.79 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.104 0 CA-C-N 117.775 0.261 . . . . 0.0 110.429 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.5 ttm180 -75.69 -32.73 60.22 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.606 0.362 . . . . 0.0 111.596 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -115.55 -2.86 12.42 Favored 'General case' 0 N--CA 1.457 -0.107 0 N-CA-C 114.09 1.144 . . . . 0.0 114.09 -176.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -59.85 -30.61 69.08 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.652 1.115 . . . . 0.0 113.027 -173.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -85.4 -27.65 25.65 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-N 118.097 0.408 . . . . 0.0 110.888 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -82.12 -33.34 29.73 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.494 0.318 . . . . 0.0 110.557 -176.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 p -80.99 -29.33 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 178.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.38 -26.47 65.58 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.172 -0.33 . . . . 0.0 110.254 176.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 63.5 m -79.25 -22.4 44.82 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 122.516 0.326 . . . . 0.0 110.33 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.3 tp -84.22 -43.39 14.94 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 122.446 0.298 . . . . 0.0 111.743 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 m -78.97 -21.22 12.75 Favored 'Isoleucine or valine' 0 C--N 1.34 0.168 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.375 -177.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 33.4 t -61.34 -15.58 37.39 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 122.257 -0.277 . . . . 0.0 110.929 176.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -80.22 -10.46 59.76 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.347 0.659 . . . . 0.0 111.41 179.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -127.1 -14.1 5.54 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.0 m -137.14 154.67 75.97 Favored Pre-proline 0 N--CA 1.461 0.122 0 CA-C-N 118.403 0.547 . . . . 0.0 110.264 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.94 161.1 47.25 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.254 2.636 . . . . 0.0 109.889 177.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.8 p -60.26 -18.83 51.71 Favored 'General case' 0 CA--C 1.526 0.055 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -175.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.27 -14.41 82.36 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 119.276 -0.735 . . . . 0.0 112.487 178.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -118.45 -6.95 10.72 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 117.997 0.898 . . . . 0.0 112.143 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.441 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 49.9 t -55.95 -50.86 84.81 Favored Pre-proline 0 CA--C 1.532 0.254 0 CA-C-O 118.291 -0.861 . . . . 0.0 112.217 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.4 Cg_endo -66.51 -22.45 51.53 Favored 'Trans proline' 0 N--CA 1.453 -0.873 0 C-N-CA 121.579 1.519 . . . . 0.0 111.95 -173.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -86.21 -29.59 23.06 Favored 'General case' 0 C--N 1.335 -0.042 0 CA-C-N 118.045 0.384 . . . . 0.0 111.088 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.6 t -81.81 -31.01 10.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -69.91 -37.06 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -72.54 -26.35 61.71 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.763 -178.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -81.73 -25.42 35.41 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.89 -31.5 59.25 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 122.133 0.173 . . . . 0.0 111.211 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -81.93 -33.89 30.13 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.02 0.373 . . . . 0.0 110.812 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.5 -29.64 27.79 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 118.741 0.701 . . . . 0.0 109.925 178.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -71.73 -34.41 69.53 Favored 'General case' 0 C--N 1.339 0.119 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 175.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.68 -33.2 62.42 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.265 178.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -62.35 -39.8 94.3 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 118.009 0.368 . . . . 0.0 111.56 -176.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 48.7 ptt85 -92.91 -8.21 43.94 Favored 'General case' 0 C--N 1.339 0.127 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -178.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -103.77 -8.65 19.66 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.115 0.416 . . . . 0.0 111.915 175.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.7 tt -75.29 -18.41 60.06 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 123.708 0.803 . . . . 0.0 111.207 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.9 -8.86 52.2 Favored 'General case' 0 CA--C 1.534 0.331 0 O-C-N 122.286 -0.258 . . . . 0.0 110.539 176.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.7 m -114.86 7.14 15.64 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.006 0.922 . . . . 0.0 111.05 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -67.75 129.83 41.13 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 35.9 mmt180 -99.5 -15.96 18.49 Favored 'General case' 0 N--CA 1.457 -0.102 0 N-CA-C 112.485 0.55 . . . . 0.0 112.485 -174.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.07 22.29 71.67 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.515 -0.634 . . . . 0.0 111.515 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -69.22 -7.76 39.63 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.141 0.577 . . . . 0.0 110.96 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.5 t -156.9 172.02 19.39 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.112 0.965 . . . . 0.0 108.947 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.18 153.67 21.55 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -63.95 -33.38 75.6 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 120.634 -0.426 . . . . 0.0 112.074 -173.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -71.18 -23.48 62.05 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 118.677 0.671 . . . . 0.0 110.978 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.4 m -69.63 -34.41 74.02 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -82.27 -29.96 30.9 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 122.997 0.519 . . . . 0.0 110.722 178.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.16 -40.84 62.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -62.42 -40.83 97.81 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 tpm_? -65.25 -38.02 89.03 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.446 0.699 . . . . 0.0 111.017 -177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.2 mt -77.51 -36.37 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 110.21 -0.293 . . . . 0.0 110.21 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.55 -37.91 80.35 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.904 0.32 . . . . 0.0 111.755 -175.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.9 p -74.41 -33.73 34.25 Favored 'Isoleucine or valine' 0 C--N 1.337 0.037 0 CA-C-N 118.336 0.516 . . . . 0.0 110.139 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -78.98 -17.06 56.05 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 119.434 -0.317 . . . . 0.0 110.985 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.9 m -84.97 -38.65 19.02 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 118.325 0.511 . . . . 0.0 110.164 176.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.25 -28.95 61.47 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 122.34 -0.225 . . . . 0.0 111.139 179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -80.27 -31.64 38.31 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.047 -0.408 . . . . 0.0 110.679 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -76.01 -19.15 58.92 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.068 0.461 . . . . 0.0 109.903 176.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -74.46 -30.07 61.72 Favored 'General case' 0 N--CA 1.453 -0.288 0 O-C-N 121.865 -0.522 . . . . 0.0 110.521 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.12 -38.42 69.29 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.015 0.371 . . . . 0.0 111.221 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.49 -19.12 14.95 Favored 'Isoleucine or valine' 0 C--N 1.339 0.111 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.609 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.4 -25.11 65.78 Favored 'General case' 0 N--CA 1.452 -0.364 0 O-C-N 122.149 -0.344 . . . . 0.0 110.492 175.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 55.9 mm-40 -76.22 -32.32 58.88 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 121.336 -0.146 . . . . 0.0 110.771 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.49 -25.65 38.53 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.898 -0.39 . . . . 0.0 112.697 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -87.58 -10.02 52.73 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 117.669 0.734 . . . . 0.0 111.921 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 37.0 ttp-105 -70.79 -24.84 62.65 Favored 'General case' 0 C--O 1.227 -0.09 0 CA-C-N 117.859 0.3 . . . . 0.0 110.379 176.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -86.97 6.01 34.38 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.53 0.732 . . . . 0.0 110.562 178.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -123.3 6.77 9.06 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.568 0.747 . . . . 0.0 110.727 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 37.8 tp -105.21 -7.78 18.77 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.436 0.694 . . . . 0.0 110.986 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.5 p . . . . . 0 C--O 1.251 1.141 0 CA-C-O 117.088 -1.434 . . . . 0.0 110.308 179.91 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 111.774 4.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.421 " H1'" ' C6 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.418 -2.579 0 O4'-C1'-N19 110.95 3.938 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.421 ' C6 ' " H1'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.422 -2.14 2 O4'-C1'-N19 111.587 4.734 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.726 0 O4'-C4'-C3' 108.916 3.316 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.553 0 O4'-C1'-N19 110.068 2.835 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.485 1 O4'-C1'-N19 111.499 4.624 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.484 0 O4'-C4'-C3' 108.131 2.531 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 110.91 -0.033 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.9 m -136.76 12.01 3.15 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 123.145 0.578 . . . . 0.0 111.635 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.46 ' HG2' ' H ' ' A' ' 5' ' ' LEU . 39.2 tt0 -145.51 147.89 32.63 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -132.49 13.47 4.53 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.256 0.623 . . . . 0.0 111.337 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.46 ' H ' ' HG2' ' A' ' 3' ' ' GLU . 6.7 mp -108.33 34.16 3.77 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.155 0.982 . . . . 0.0 109.974 -176.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.8 p -65.36 173.89 2.39 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.85 0.86 . . . . 0.0 111.175 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -66.78 -14.57 62.77 Favored 'General case' 0 N--CA 1.455 -0.208 0 O-C-N 122.225 -0.297 . . . . 0.0 111.482 -179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -72.61 -43.23 63.58 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.043 -0.41 . . . . 0.0 110.511 -178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.4 p -81.8 -24.23 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 CA-C-N 118.027 0.376 . . . . 0.0 110.252 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.2 tp -71.65 -28.1 63.52 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.2 t -75.7 -35.48 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -69.18 -29.04 66.94 Favored 'General case' 0 N--CA 1.461 0.078 0 CA-C-N 118.401 0.546 . . . . 0.0 110.233 177.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -72.83 -29.95 63.64 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 122.311 -0.243 . . . . 0.0 110.65 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.3 t -75.64 -27.78 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 175.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -71.92 -15.95 62.1 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 117.969 0.349 . . . . 0.0 110.621 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -83.45 4.73 26.47 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.507 0.323 . . . . 0.0 110.94 172.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.19 10.47 68.62 Favored Glycine 0 CA--C 1.529 0.922 0 CA-C-O 119.615 -0.547 . . . . 0.0 112.892 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -77.53 114.56 16.49 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.187 0.994 . . . . 0.0 110.097 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.8 tp60 -80.05 -26.93 39.5 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.695 0.398 . . . . 0.0 111.347 -179.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.6 mmpt? -77.87 -30.24 50.78 Favored 'General case' 0 C--O 1.226 -0.132 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -177.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.53 -29.19 68.53 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -76.2 -31.94 58.71 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -62.3 -36.67 82.84 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 117.982 0.355 . . . . 0.0 110.508 178.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.77 -32.06 69.06 Favored 'General case' 0 C--N 1.339 0.116 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.0 tp -71.42 -29.61 65.1 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.434 0.294 . . . . 0.0 110.482 178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.3 t -72.04 -39.54 66.14 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.156 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 176.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.5 t -67.73 -24.21 30.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.176 0 O-C-N 122.053 -0.404 . . . . 0.0 110.477 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -75.0 -32.72 61.72 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-O 119.259 -0.4 . . . . 0.0 111.577 179.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -115.48 0.22 13.29 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 115.346 1.61 . . . . 0.0 115.346 -175.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -60.99 -28.6 69.14 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.569 1.077 . . . . 0.0 112.89 -175.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 45.6 m80 -85.23 -26.33 26.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 118.385 0.538 . . . . 0.0 110.597 178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.698 ' HE2' ' CZ ' ' A' ' 71' ' ' TYR . 2.4 tmtm? -74.51 -44.71 50.02 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.536 0.735 . . . . 0.0 110.646 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.405 HG11 ' CE2' ' A' ' 54' ' ' PHE . 11.5 p -74.11 -32.85 33.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.081 -177.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.98 -25.81 65.61 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.526 178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.8 m -82.07 -21.53 36.8 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.046 0.539 . . . . 0.0 110.891 177.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -87.96 -39.78 14.44 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 122.675 0.39 . . . . 0.0 111.453 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -81.36 -23.7 10.33 Favored 'Isoleucine or valine' 0 C--O 1.231 0.116 0 CA-C-N 118.503 0.592 . . . . 0.0 111.094 -177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 99.0 p -62.27 -15.35 46.84 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.056 0.389 . . . . 0.0 110.696 176.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.5 mtp-105 -78.35 -8.57 58.59 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.415 0.686 . . . . 0.0 111.269 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -126.79 -17.86 4.86 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.7 m -133.65 153.59 80.24 Favored Pre-proline 0 CA--C 1.527 0.094 0 CA-C-N 118.551 0.614 . . . . 0.0 111.006 177.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.29 162.16 42.95 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 C-N-CA 123.23 2.62 . . . . 0.0 109.825 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.7 p -59.92 -17.98 41.49 Favored 'General case' 0 C--N 1.338 0.086 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -174.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.38 -15.65 81.32 Favored Glycine 0 CA--C 1.528 0.9 0 CA-C-O 119.499 -0.611 . . . . 0.0 112.607 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -118.58 -5.88 10.71 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 117.669 0.734 . . . . 0.0 112.155 -178.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.451 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.4 t -56.85 -50.1 90.03 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.903 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.5 Cg_endo -67.32 -22.54 45.88 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 121.402 1.401 . . . . 0.0 112.248 -175.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -82.39 -34.44 28.34 Favored 'General case' 0 CA--C 1.529 0.142 0 CA-C-N 118.262 0.483 . . . . 0.0 110.458 178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 79.7 t -79.04 -28.51 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 122.506 0.322 . . . . 0.0 110.195 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.6 t -72.73 -33.59 44.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -73.25 -24.24 60.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 119.565 -0.255 . . . . 0.0 111.067 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -81.87 -28.76 32.8 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 118.733 0.697 . . . . 0.0 110.094 174.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.04 75.77 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 121.876 -0.515 . . . . 0.0 111.364 -176.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.405 ' CE2' HG11 ' A' ' 33' ' ' VAL . 34.9 m-85 -84.29 -32.39 24.39 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 118.219 0.463 . . . . 0.0 111.124 178.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.09 -30.45 20.51 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 CA-C-N 118.723 0.692 . . . . 0.0 110.002 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -74.45 -32.16 62.51 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 175.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.89 -33.63 64.1 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 119.625 -0.226 . . . . 0.0 110.523 176.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -64.3 -37.89 89.1 Favored 'General case' 0 N--CA 1.457 -0.096 0 CA-C-N 118.418 0.554 . . . . 0.0 111.326 -177.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -87.47 -10.82 50.8 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.454 0.538 . . . . 0.0 112.454 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -106.92 -7.36 17.08 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.6 tt -74.41 -20.08 60.18 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 123.359 0.664 . . . . 0.0 110.822 -178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -71.99 -8.19 53.09 Favored 'General case' 0 CA--C 1.532 0.257 0 O-C-N 122.099 -0.376 . . . . 0.0 110.315 174.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.6 m -114.67 12.55 17.18 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.13 0.972 . . . . 0.0 111.225 178.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -64.93 131.45 46.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 -99.69 -18.44 17.27 Favored 'General case' 0 CA--C 1.527 0.076 0 C-N-CA 122.963 0.505 . . . . 0.0 111.993 -173.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.52 20.87 79.91 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 112.082 -0.407 . . . . 0.0 112.082 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -68.76 -10.31 55.82 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 117.521 0.661 . . . . 0.0 111.03 178.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.7 t -154.72 173.27 16.64 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.256 1.022 . . . . 0.0 108.469 175.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.15 153.56 17.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -62.67 -31.48 72.38 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 122.193 -0.317 . . . . 0.0 111.803 -175.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.698 ' CZ ' ' HE2' ' A' ' 32' ' ' LYS . 62.0 t80 -70.32 -31.18 68.37 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.066 0.394 . . . . 0.0 111.095 -178.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.0 m -64.76 -34.73 79.02 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -81.99 -34.79 29.49 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.695 0.798 . . . . 0.0 111.107 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.58 -35.74 81.97 Favored 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 177.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -66.85 -41.8 86.76 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 119.331 -0.366 . . . . 0.0 111.191 -177.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -62.86 -41.95 99.57 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 118.514 0.597 . . . . 0.0 111.191 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 52.9 mt -69.55 -35.19 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -176.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.49 -39.71 85.22 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -175.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.0 p -76.42 -35.36 26.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 CA-C-N 118.287 0.494 . . . . 0.0 110.35 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -77.35 -17.05 58.58 Favored 'General case' 0 N--CA 1.45 -0.438 0 O-C-N 122.265 -0.272 . . . . 0.0 111.082 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.9 m -80.68 -38.46 28.96 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-N 118.368 0.531 . . . . 0.0 109.69 174.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.0 -29.15 60.8 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.349 -0.22 . . . . 0.0 110.984 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -79.94 -28.53 39.67 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.131 0.423 . . . . 0.0 110.789 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -73.36 -21.63 60.48 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 174.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -75.56 -29.9 59.52 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 119.559 -0.258 . . . . 0.0 110.678 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.5 mt -77.66 -32.44 53.2 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 118.13 0.423 . . . . 0.0 111.91 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.5 m -77.37 -22.55 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-N 118.42 0.555 . . . . 0.0 110.02 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.94 -11.11 59.63 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 122.908 0.483 . . . . 0.0 110.407 173.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -96.25 -28.75 14.38 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.243 0.617 . . . . 0.0 110.579 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.12 -14.02 72.93 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 119.863 -0.409 . . . . 0.0 112.416 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -105.36 10.55 33.41 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 117.609 0.704 . . . . 0.0 112.128 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 -70.91 -14.7 62.47 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.625 0.37 . . . . 0.0 111.259 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.2 mt -125.64 17.38 8.11 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.781 0.832 . . . . 0.0 111.495 -177.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -141.22 156.94 45.85 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 120.799 0.333 . . . . 0.0 110.72 -178.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.0 tp -88.36 6.32 37.84 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.455 0.702 . . . . 0.0 112.09 -175.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.252 1.228 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.071 -178.34 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.271 0 O4'-C1'-N19 110.679 3.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.427 " H4'" " H5'" ' B' ' 3' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.477 1 O4'-C1'-N19 112.957 6.446 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.427 " H5'" " H4'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.53 2.386 0 P-O3'-C3' 123.763 3.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.66 0 O4'-C4'-C3' 109.405 3.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.033 0 O4'-C1'-N19 109.954 2.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.235 1 O4'-C1'-N19 112.284 5.605 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.554 0 O4'-C1'-N19 110.98 3.975 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.3 ttm . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 m -139.12 169.4 17.85 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.259 0.624 . . . . 0.0 110.456 -178.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -127.55 157.31 40.49 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.159 0.584 . . . . 0.0 110.479 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -83.75 156.0 22.77 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.88 26.08 1.91 Allowed 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.1 p -63.16 167.02 5.38 Favored 'General case' 0 C--N 1.333 -0.147 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.19 -17.45 62.42 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.678 -0.638 . . . . 0.0 111.415 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -76.61 -51.52 11.44 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.976 -0.452 . . . . 0.0 110.357 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.34 -28.11 25.03 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.048 0 CA-C-N 117.662 0.21 . . . . 0.0 110.625 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp -72.26 -28.9 63.43 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -178.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.7 t -77.12 -35.28 22.72 Favored 'Isoleucine or valine' 0 C--N 1.339 0.138 0 CA-C-O 119.42 -0.324 . . . . 0.0 110.758 175.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -67.52 -29.42 68.82 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 118.355 0.525 . . . . 0.0 110.307 178.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -80.09 -28.53 39.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.02 0.528 . . . . 0.0 111.71 -178.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -74.75 -41.46 47.46 Favored 'Isoleucine or valine' 0 C--O 1.231 0.121 0 CA-C-N 118.055 0.389 . . . . 0.0 110.914 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -74.26 -14.83 60.97 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.652 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -69.68 -10.77 59.59 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.687 0.795 . . . . 0.0 110.655 171.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.52 5.89 36.24 Favored Glycine 0 CA--C 1.528 0.877 0 CA-C-O 119.191 -0.783 . . . . 0.0 113.107 177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -80.14 117.31 20.83 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.609 1.204 . . . . 0.0 110.377 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.0 tp60 -80.62 -27.45 37.29 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 122.572 0.349 . . . . 0.0 111.602 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.596 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.9 mmpt? -78.08 -29.5 49.17 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -176.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.08 -26.89 66.95 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 176.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.2 t80 -80.41 -36.24 34.03 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.703 -0.399 . . . . 0.0 111.002 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -62.17 -31.78 72.32 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.913 -0.492 . . . . 0.0 110.003 179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mp -78.37 -28.07 46.98 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 177.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 53.0 tp -75.57 -31.17 59.9 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.813 0.445 . . . . 0.0 110.297 176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.9 t -68.57 -48.83 70.12 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.188 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.64 -23.85 28.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 CA-C-N 117.665 0.211 . . . . 0.0 110.59 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -65.84 -35.22 80.05 Favored 'General case' 0 N--CA 1.457 -0.122 0 O-C-N 122.149 -0.344 . . . . 0.0 110.966 178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -114.26 0.09 14.06 Favored 'General case' 0 CA--C 1.528 0.112 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -177.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -57.72 -40.64 80.07 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 118.785 0.721 . . . . 0.0 112.304 -173.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -81.58 -24.22 36.63 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 121.953 -0.467 . . . . 0.0 110.876 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -83.19 -36.42 24.68 Favored 'General case' 0 C--O 1.231 0.087 0 C-N-CA 122.393 0.277 . . . . 0.0 110.964 -176.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 p -76.78 -27.77 16.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 177.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.19 -33.55 75.63 Favored 'General case' 0 N--CA 1.451 -0.396 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 177.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 70.4 m -74.62 -22.05 59.13 Favored 'General case' 0 N--CA 1.458 -0.049 0 C-N-CA 122.22 0.208 . . . . 0.0 110.843 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.1 tp -82.31 -42.54 18.64 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 119.168 -0.444 . . . . 0.0 111.582 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.0 m -79.01 -21.57 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.038 0 CA-C-N 118.959 0.8 . . . . 0.0 111.324 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 44.9 m -60.03 -15.5 23.29 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-N 118.097 0.408 . . . . 0.0 111.037 176.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -81.26 -10.7 59.54 Favored 'General case' 0 CA--C 1.528 0.096 0 C-N-CA 123.085 0.554 . . . . 0.0 111.52 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.4 ' CE2' HG23 ' A' ' 79' ' ' VAL . 39.5 m-85 -127.06 -13.21 5.73 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -136.87 153.34 75.46 Favored Pre-proline 0 N--CA 1.463 0.223 0 CA-C-N 118.399 0.545 . . . . 0.0 110.729 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -70.09 160.92 47.9 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 123.642 2.895 . . . . 0.0 109.814 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.8 p -59.63 -17.14 31.12 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -174.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.17 -15.6 81.3 Favored Glycine 0 CA--C 1.528 0.89 0 CA-C-O 119.507 -0.607 . . . . 0.0 112.371 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -118.52 -6.01 10.73 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 117.839 0.82 . . . . 0.0 112.316 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.414 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 71.3 t -57.01 -51.89 78.24 Favored Pre-proline 0 CA--C 1.53 0.205 0 CA-C-O 118.381 -0.819 . . . . 0.0 112.097 -178.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.3 Cg_endo -67.55 -22.96 43.81 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 CA-C-N 120.842 1.337 . . . . 0.0 112.057 -174.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -84.11 -31.87 25.03 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 122.175 -0.328 . . . . 0.0 110.836 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 53.6 t -81.49 -29.11 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.053 0 C-N-CA 122.777 0.431 . . . . 0.0 109.995 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.24 -38.05 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 175.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -72.65 -28.11 62.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 120.967 -0.293 . . . . 0.0 110.36 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -78.63 -23.11 46.02 Favored 'General case' 0 N--CA 1.453 -0.278 0 O-C-N 122.133 -0.355 . . . . 0.0 110.279 176.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.95 -30.92 56.26 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 119.606 -0.235 . . . . 0.0 111.364 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.1 m-85 -82.95 -33.81 26.62 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 117.995 0.361 . . . . 0.0 110.973 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -72.87 -29.09 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 CA-C-N 118.695 0.679 . . . . 0.0 110.274 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -74.81 -32.67 62.04 Favored 'General case' 0 C--N 1.34 0.162 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.16 -35.79 69.13 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -61.83 -37.93 86.3 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.174 0.443 . . . . 0.0 111.686 -177.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -87.99 -9.9 52.05 Favored 'General case' 0 N--CA 1.457 -0.081 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.73 -5.28 15.02 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 177.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.2 tt -75.3 -22.97 57.31 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.356 0.662 . . . . 0.0 111.505 -175.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -70.8 -8.41 52.26 Favored 'General case' 0 CA--C 1.533 0.292 0 O-C-N 121.938 -0.476 . . . . 0.0 110.067 175.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.5 m -110.97 9.36 22.22 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.804 0.842 . . . . 0.0 110.929 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -67.17 133.72 50.35 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.6 mtt85 -99.64 -17.9 17.58 Favored 'General case' 0 CA--C 1.522 -0.106 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -174.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.24 22.08 76.75 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.389 -0.684 . . . . 0.0 111.389 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -68.59 -9.06 47.27 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.217 0.607 . . . . 0.0 110.914 179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 48.2 t -158.41 174.77 14.61 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.321 1.049 . . . . 0.0 109.271 176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.36 155.58 14.43 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -64.31 -32.83 74.58 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 121.947 -0.47 . . . . 0.0 112.04 -173.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -71.5 -25.55 62.3 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.741 0.7 . . . . 0.0 111.078 -177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.3 m -66.51 -35.53 80.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 69.7 t90 -81.82 -33.93 30.48 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.029 0.532 . . . . 0.0 110.393 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.27 -34.65 75.08 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -65.15 -39.52 93.11 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -67.09 -36.71 82.55 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 117.875 0.307 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.412 HG12 ' C5 ' ' B' ' 3' ' ' ' DT' . 51.7 mt -73.8 -38.07 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.86 -40.1 75.97 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -175.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.4 HG23 ' CE2' ' A' ' 40' ' ' TYR . 9.3 p -72.41 -31.67 39.24 Favored 'Isoleucine or valine' 0 C--N 1.34 0.158 0 CA-C-N 118.154 0.434 . . . . 0.0 110.316 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -83.01 -22.16 33.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 119.428 -0.32 . . . . 0.0 111.272 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.5 m -75.02 -39.06 61.33 Favored 'General case' 0 N--CA 1.458 -0.065 0 CA-C-N 118.741 0.701 . . . . 0.0 109.613 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.72 -28.2 60.69 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 110.585 -0.154 . . . . 0.0 110.585 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -81.39 -31.31 33.31 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.273 -0.267 . . . . 0.0 110.548 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -71.95 -22.76 61.41 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 175.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -74.33 -29.48 61.61 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 122.234 -0.291 . . . . 0.0 110.968 177.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.0 mt -73.48 -26.33 60.86 Favored 'General case' 0 CA--C 1.529 0.144 0 O-C-N 122.041 -0.412 . . . . 0.0 111.434 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.8 m -94.72 -15.5 7.72 Favored 'Isoleucine or valine' 0 C--N 1.338 0.077 0 CA-C-N 117.973 0.352 . . . . 0.0 111.113 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.26 -23.43 62.89 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 122.175 -0.328 . . . . 0.0 110.274 175.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -96.34 -23.14 16.78 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.106 0.563 . . . . 0.0 110.775 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -78.47 -18.08 76.54 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.564 -0.614 . . . . 0.0 111.564 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 76.6 mtp180 -105.33 14.43 28.87 Favored 'General case' 0 CA--C 1.527 0.082 0 C-N-CA 123.695 0.798 . . . . 0.0 111.174 177.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -99.38 -9.24 23.72 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.368 0.667 . . . . 0.0 110.954 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 39.7 tp -130.29 -4.52 4.35 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.676 0.79 . . . . 0.0 110.641 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -146.68 152.04 38.2 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.668 0.787 . . . . 0.0 109.176 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.7 tp 53.05 30.83 10.11 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.21 0.604 . . . . 0.0 111.66 -178.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 C--O 1.251 1.154 0 CA-C-O 117.366 -1.302 . . . . 0.0 110.199 179.874 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.465 1 O4'-C1'-N19 111.808 5.01 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.199 1 P-O3'-C3' 124.93 4.358 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.412 ' C5 ' HG12 ' A' ' 77' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -2.684 0 O4'-C1'-N19 109.428 2.035 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.677 0 O4'-C4'-C3' 109.148 3.548 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.282 0 O4'-C1'-N19 109.941 2.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.352 1 O4'-C1'-N19 111.701 4.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.407 0 O4'-C1'-N19 110.879 3.849 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.857 0 CA-C-O 120.395 0.14 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.2 p -155.38 165.7 35.81 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 123.161 0.585 . . . . 0.0 110.808 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -100.66 168.89 9.4 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 123.605 0.762 . . . . 0.0 110.471 178.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -130.5 161.75 30.77 Favored 'General case' 0 C--O 1.232 0.162 0 C-N-CA 123.186 0.594 . . . . 0.0 110.467 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 mp -82.14 82.38 7.72 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 121.063 0.459 . . . . 0.0 109.825 -178.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.3 p -74.33 169.91 16.68 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.874 175.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -66.43 -15.16 63.11 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 121.968 -0.457 . . . . 0.0 111.361 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -77.95 -43.61 29.29 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 121.882 -0.511 . . . . 0.0 110.772 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.1 p -83.75 -24.46 7.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 122.272 0.229 . . . . 0.0 110.691 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.0 tp -78.9 -29.23 44.2 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 122.314 -0.241 . . . . 0.0 110.688 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.8 t -77.04 -37.97 27.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.153 0 CA-C-O 119.557 -0.258 . . . . 0.0 110.866 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -73.94 -22.93 59.48 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.225 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -70.95 -31.55 68.16 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 176.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.8 t -73.27 -28.7 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -71.99 -15.21 62.05 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 117.895 0.316 . . . . 0.0 110.922 176.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -84.48 4.85 29.89 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.853 0.461 . . . . 0.0 111.163 173.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.52 8.13 64.35 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.647 -0.529 . . . . 0.0 113.104 176.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -79.93 109.06 14.01 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 118.264 1.032 . . . . 0.0 109.972 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -80.33 -26.37 38.77 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 122.238 -0.289 . . . . 0.0 110.63 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.627 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.3 mmpt? -71.84 -31.13 66.19 Favored 'General case' 0 N--CA 1.457 -0.11 0 O-C-N 121.933 -0.479 . . . . 0.0 109.768 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.05 -28.98 68.65 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 176.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -74.85 -31.03 61.53 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 110.199 -0.297 . . . . 0.0 110.199 177.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -64.33 -36.07 82.92 Favored 'General case' 0 N--CA 1.453 -0.319 0 O-C-N 121.907 -0.496 . . . . 0.0 110.317 178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.13 -25.28 59.67 Favored 'General case' 0 CA--C 1.528 0.113 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.3 tp -75.1 -30.05 60.79 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 177.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.0 t -71.52 -44.46 70.78 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.7 -23.75 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 O-C-N 122.19 -0.318 . . . . 0.0 110.49 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.5 ttt180 -73.66 -36.44 65.36 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.696 0.398 . . . . 0.0 111.855 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -114.6 -1.45 13.35 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -175.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -58.96 -30.68 68.08 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 119.263 0.938 . . . . 0.0 112.709 -174.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -87.12 -25.73 23.98 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 118.358 0.527 . . . . 0.0 111.023 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -82.69 -33.38 27.67 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.405 0.282 . . . . 0.0 110.508 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -80.85 -29.8 11.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.07 -27.65 65.82 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.7 m -78.29 -22.27 48.46 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.27 0.228 . . . . 0.0 110.595 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -81.5 -45.77 15.48 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 119.405 -0.331 . . . . 0.0 111.535 177.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 m -78.05 -21.32 13.58 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.066 0 C-N-CA 120.1 -0.64 . . . . 0.0 111.136 -176.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.9 t -62.28 -15.87 50.28 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 117.761 0.255 . . . . 0.0 110.641 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -79.04 -9.02 59.42 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.247 0.619 . . . . 0.0 111.035 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.451 ' CE2' HG23 ' A' ' 79' ' ' VAL . 61.4 m-85 -126.91 -19.69 4.38 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -176.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.1 m -133.24 153.63 80.75 Favored Pre-proline 0 N--CA 1.461 0.092 0 CA-C-N 118.386 0.539 . . . . 0.0 110.767 177.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -69.33 161.33 46.32 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 123.308 2.672 . . . . 0.0 109.899 177.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 82.0 p -59.3 -18.34 36.91 Favored 'General case' 0 CA--C 1.529 0.169 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -175.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.21 -14.94 81.82 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.611 -0.549 . . . . 0.0 112.556 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -118.89 -5.97 10.56 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 118.045 0.923 . . . . 0.0 111.866 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.445 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.4 t -57.36 -50.98 85.1 Favored Pre-proline 0 CA--C 1.53 0.181 0 CA-C-O 118.411 -0.804 . . . . 0.0 111.745 179.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.4 Cg_endo -66.72 -22.25 50.37 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 121.53 1.486 . . . . 0.0 111.693 -175.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -84.39 -31.89 24.46 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 117.97 0.35 . . . . 0.0 110.646 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 76.3 t -82.46 -28.3 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.083 0 C-N-CA 122.48 0.312 . . . . 0.0 110.404 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.6 t -73.01 -35.44 48.49 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -74.88 -20.4 59.75 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 110.518 -0.178 . . . . 0.0 110.518 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -85.09 -20.45 30.34 Favored 'General case' 0 N--CA 1.453 -0.303 0 O-C-N 121.728 -0.607 . . . . 0.0 110.078 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.41 -35.25 25.19 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 122.184 -0.322 . . . . 0.0 111.48 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -80.42 -32.21 37.45 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 118.372 0.533 . . . . 0.0 111.169 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -76.55 -30.92 19.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 O-C-N 121.677 -0.639 . . . . 0.0 109.483 -178.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -72.28 -32.81 66.95 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 175.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.05 -33.27 61.71 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.509 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -62.12 -39.54 92.9 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 118.262 0.483 . . . . 0.0 111.234 -177.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -92.54 -6.1 50.35 Favored 'General case' 0 CA--C 1.527 0.089 0 N-CA-C 112.994 0.739 . . . . 0.0 112.994 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.72 -8.18 16.16 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 tt -73.26 -17.77 61.29 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 123.206 0.602 . . . . 0.0 110.953 -178.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -70.2 -8.5 50.41 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 122.014 -0.429 . . . . 0.0 110.686 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.4 m -114.59 3.29 14.79 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.705 0.802 . . . . 0.0 111.468 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -69.07 119.96 14.18 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -99.97 -6.6 26.33 Favored 'General case' 0 CA--C 1.53 0.178 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 -174.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.51 28.77 46.57 Favored Glycine 0 CA--C 1.526 0.729 0 CA-C-O 119.761 -0.466 . . . . 0.0 113.209 171.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -70.66 -6.97 40.98 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 117.867 0.833 . . . . 0.0 111.135 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.8 t -157.36 174.22 15.75 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.676 0.79 . . . . 0.0 109.18 176.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.69 154.62 14.21 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -63.23 -33.91 76.52 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -173.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -73.41 -22.23 60.29 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 120.094 -0.642 . . . . 0.0 111.235 -177.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.423 HG23 ' H62' ' B' ' 7' ' ' ' DA' . 20.3 m -67.45 -35.28 78.91 Favored 'General case' 0 N--CA 1.453 -0.284 0 O-C-N 121.705 -0.622 . . . . 0.0 109.328 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -82.55 -27.26 31.75 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.438 0.695 . . . . 0.0 111.083 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 tt -75.11 -41.66 58.07 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -61.8 -37.63 85.09 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.7 tpt85 -66.12 -38.99 89.57 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.771 0.828 . . . . 0.0 110.772 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.9 mt -77.74 -36.85 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 N-CA-C 110.194 -0.299 . . . . 0.0 110.194 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.44 -36.47 73.97 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -175.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.451 HG23 ' CE2' ' A' ' 40' ' ' TYR . 8.0 p -78.05 -27.41 14.83 Favored 'Isoleucine or valine' 0 C--N 1.338 0.075 0 CA-C-N 118.064 0.393 . . . . 0.0 110.313 179.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.42 HD21 ' N2 ' ' B' ' 2' ' ' ' DG' . 37.7 t-20 -82.17 -20.58 37.59 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 122.414 -0.179 . . . . 0.0 110.548 178.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.6 m -82.65 -40.71 20.35 Favored 'General case' 0 N--CA 1.456 -0.133 0 O-C-N 121.811 -0.555 . . . . 0.0 110.335 177.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.56 -30.09 64.11 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.779 0.263 . . . . 0.0 111.564 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -83.0 -30.23 28.32 Favored 'General case' 0 N--CA 1.457 -0.119 0 O-C-N 122.264 -0.273 . . . . 0.0 110.939 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -74.23 -21.88 59.59 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -72.45 -32.98 66.72 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.729 0.412 . . . . 0.0 110.717 177.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.88 -30.1 66.38 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 122.196 -0.315 . . . . 0.0 111.611 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.1 m -93.09 -15.82 7.89 Favored 'Isoleucine or valine' 0 C--N 1.339 0.142 0 CA-C-N 117.795 0.271 . . . . 0.0 111.613 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.94 -16.68 61.08 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 122.297 0.239 . . . . 0.0 110.393 176.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -107.41 -16.6 14.34 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.82 0.448 . . . . 0.0 111.487 178.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.93 -21.34 55.88 Favored Glycine 0 CA--C 1.529 0.922 0 N-CA-C 112.241 -0.344 . . . . 0.0 112.241 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -156.75 150.06 24.24 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.408 0.683 . . . . 0.0 110.187 178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -155.5 139.57 16.45 Favored 'General case' 0 C--O 1.231 0.127 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 93' ' ' LEU . 19.9 tp 50.2 36.83 13.31 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.081 0.552 . . . . 0.0 110.961 -179.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -132.74 145.42 51.01 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.194 0.598 . . . . 0.0 110.01 -175.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.5 mt -124.53 13.28 8.74 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.442 0.697 . . . . 0.0 111.785 -173.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 C--O 1.25 1.124 0 CA-C-O 117.142 -1.409 . . . . 0.0 111.055 179.516 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.795 1 O4'-C1'-N19 113.404 7.005 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.592 " H1'" ' C6 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.862 1 O4'-C1'-N19 112.58 5.976 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.592 ' C6 ' " H1'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.422 -2.22 1 O4'-C1'-N19 111.368 4.46 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.557 0 O4'-C4'-C3' 109.022 3.422 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.272 0 O4'-C1'-N19 110.124 2.905 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.484 1 O4'-C1'-N19 111.691 4.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.423 ' H62' HG23 ' A' ' 72' ' ' THR . . . . . . . . 0 C5'--C4' 1.532 2.647 1 O4'-C1'-N19 111.272 4.34 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.9 mmm . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -136.64 5.36 2.9 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -177.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -87.86 -3.1 58.96 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.983 -0.448 . . . . 0.0 111.509 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.421 ' C ' HD12 ' A' ' 5' ' ' LEU . 15.4 mm100 55.36 7.33 0.21 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 116.009 1.855 . . . . 0.0 116.009 175.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.421 HD12 ' C ' ' A' ' 4' ' ' GLN . 6.0 mp -137.72 16.37 2.89 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 118.784 0.72 . . . . 0.0 110.942 177.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.8 p -72.4 179.55 3.4 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.149 0.499 . . . . 0.0 111.05 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -65.11 -17.66 64.65 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 122.071 -0.393 . . . . 0.0 111.108 176.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -68.53 -42.82 77.91 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.925 -0.485 . . . . 0.0 110.746 -177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 p -84.31 -25.62 7.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 122.546 0.338 . . . . 0.0 110.679 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.6 tp -79.73 -29.99 40.75 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 119.744 -0.17 . . . . 0.0 110.733 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.8 t -75.14 -39.43 43.36 Favored 'Isoleucine or valine' 0 C--N 1.337 0.062 0 CA-C-N 118.146 0.43 . . . . 0.0 110.381 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.82 -21.61 60.94 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.856 178.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -72.92 -30.87 64.23 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 117.857 0.299 . . . . 0.0 110.524 176.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.1 t -73.83 -28.44 24.23 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -71.74 -15.68 62.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.939 -0.476 . . . . 0.0 111.164 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -84.57 4.46 32.02 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 122.75 0.42 . . . . 0.0 111.037 172.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.54 9.14 63.32 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.609 -0.55 . . . . 0.0 113.152 176.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -80.56 110.9 16.47 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 118.301 1.05 . . . . 0.0 109.887 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.5 tm0? -80.27 -28.95 38.29 Favored 'General case' 0 N--CA 1.457 -0.111 0 O-C-N 122.309 -0.245 . . . . 0.0 110.502 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.614 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.8 mmpt? -71.17 -30.26 66.21 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.85 -28.48 68.38 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -76.05 -29.84 58.19 Favored 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 122.226 -0.296 . . . . 0.0 110.339 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -65.01 -35.86 82.54 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 122.045 -0.41 . . . . 0.0 110.333 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.25 -30.35 64.78 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.4 tp -70.71 -31.39 68.23 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.58 -42.61 83.59 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.194 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -65.46 -24.2 34.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 O-C-N 122.445 -0.159 . . . . 0.0 110.876 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -75.83 -31.4 59.35 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -115.01 -2.93 12.69 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -175.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -59.46 -31.31 69.2 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-N 119.467 1.031 . . . . 0.0 112.922 -173.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -87.16 -26.25 23.67 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 118.187 0.449 . . . . 0.0 110.917 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -81.69 -34.98 30.35 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.434 0.294 . . . . 0.0 110.451 -177.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -79.14 -28.99 13.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.67 -26.55 65.37 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 56.6 m -79.29 -22.16 45.02 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 122.387 0.275 . . . . 0.0 110.326 176.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.7 tp -83.1 -44.63 14.92 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 122.533 0.333 . . . . 0.0 111.814 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.8 m -78.55 -20.15 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 119.939 -0.705 . . . . 0.0 111.433 -177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.4 t -61.29 -16.14 42.56 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 121.041 0.448 . . . . 0.0 110.844 175.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -79.38 -10.92 59.91 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 122.962 0.505 . . . . 0.0 111.519 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -126.94 -17.47 4.88 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -176.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.6 m -133.72 154.11 80.41 Favored Pre-proline 0 C--O 1.232 0.142 0 CA-C-N 118.379 0.536 . . . . 0.0 110.575 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -69.85 161.61 45.28 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.36 2.706 . . . . 0.0 109.666 177.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.0 t -59.29 -20.13 51.84 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 122.906 0.482 . . . . 0.0 112.288 -174.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.88 -15.04 81.12 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-O 119.389 -0.673 . . . . 0.0 112.696 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -118.58 -5.67 10.72 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.049 0.924 . . . . 0.0 112.057 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.433 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 53.2 t -56.59 -51.87 77.85 Favored Pre-proline 0 CA--C 1.53 0.206 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.955 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.9 Cg_endo -66.94 -22.75 47.97 Favored 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 121.677 1.585 . . . . 0.0 112.05 -174.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -84.44 -32.84 23.85 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 118.046 0.384 . . . . 0.0 110.77 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 62.8 t -81.02 -29.26 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 122.492 0.317 . . . . 0.0 110.318 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 37.9 t -71.02 -39.16 74.5 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.117 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 176.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -72.41 -26.1 61.74 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.522 -177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -78.98 -23.67 44.33 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 175.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.66 -29.02 45.49 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 122.263 0.225 . . . . 0.0 111.168 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -83.02 -34.91 26.18 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 117.951 0.341 . . . . 0.0 110.982 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.08 -27.74 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-N 118.565 0.62 . . . . 0.0 109.97 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -74.83 -32.71 62.01 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.17 -34.44 63.8 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -61.41 -37.99 85.46 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 122.081 -0.387 . . . . 0.0 111.63 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -89.8 -9.39 49.38 Favored 'General case' 0 C--N 1.335 -0.059 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -110.57 -6.64 14.83 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 178.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.8 tt -74.16 -19.13 60.66 Favored 'General case' 0 C--O 1.231 0.081 0 C-N-CA 123.149 0.58 . . . . 0.0 111.115 -177.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -71.18 -7.43 46.66 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 122.216 -0.303 . . . . 0.0 110.682 176.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 49.9 m -114.89 8.47 15.95 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.925 0.89 . . . . 0.0 111.017 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -66.07 131.39 46.09 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -99.44 -19.88 16.73 Favored 'General case' 0 N--CA 1.46 0.048 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -175.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.5 21.27 75.47 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -69.0 -7.58 36.78 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 117.435 0.618 . . . . 0.0 111.007 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 40.2 t -156.49 171.85 19.56 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.308 1.043 . . . . 0.0 109.061 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.16 154.23 16.48 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 177.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -63.37 -35.1 79.29 Favored 'General case' 0 N--CA 1.452 -0.336 0 O-C-N 121.872 -0.518 . . . . 0.0 112.041 -173.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -73.26 -21.76 60.54 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 118.553 0.615 . . . . 0.0 111.282 -177.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.403 HG23 ' H62' ' B' ' 7' ' ' ' DA' . 34.6 m -72.46 -31.07 65.14 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 121.921 -0.487 . . . . 0.0 109.768 -179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -82.07 -30.14 31.48 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 122.905 0.482 . . . . 0.0 110.217 176.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 tt -73.47 -39.83 64.6 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 178.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -63.14 -38.54 91.59 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.53 0.732 . . . . 0.0 109.716 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -68.23 -37.09 80.46 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.807 0.843 . . . . 0.0 110.66 -177.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.1 mt -77.06 -35.62 23.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.24 76.01 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 118.228 0.467 . . . . 0.0 111.842 -175.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 8.6 p -73.92 -32.86 35.06 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 CA-C-N 118.136 0.426 . . . . 0.0 110.137 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -81.52 -16.78 50.72 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 119.569 -0.253 . . . . 0.0 111.371 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.7 m -84.99 -38.89 18.71 Favored 'General case' 0 N--CA 1.458 -0.048 0 CA-C-N 118.392 0.542 . . . . 0.0 109.902 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.42 -28.97 62.28 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 122.334 -0.229 . . . . 0.0 111.163 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -83.07 -30.76 27.74 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.987 0.358 . . . . 0.0 110.762 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -72.24 -22.45 61.24 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 176.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -73.9 -31.48 63.12 Favored 'General case' 0 N--CA 1.453 -0.298 0 O-C-N 121.88 -0.513 . . . . 0.0 110.466 175.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.6 mt -69.06 -22.99 63.99 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.986 -0.446 . . . . 0.0 111.785 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m -101.67 -14.73 7.98 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.105 0 CA-C-N 117.922 0.328 . . . . 0.0 111.759 178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.09 -25.54 55.58 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 118.306 0.503 . . . . 0.0 112.25 -177.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -118.96 -13.31 9.45 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 117.695 0.225 . . . . 0.0 110.619 173.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -79.74 -12.65 83.33 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -103.04 9.18 38.7 Favored 'General case' 0 C--N 1.341 0.21 0 CA-C-N 117.434 0.617 . . . . 0.0 111.487 177.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -132.54 8.99 4.27 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.742 0.817 . . . . 0.0 111.105 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.07 36.56 1.25 Allowed 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.241 0.616 . . . . 0.0 110.18 -178.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -133.16 164.02 27.98 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.044 0.538 . . . . 0.0 110.658 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.4 tp 54.06 29.76 10.81 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.702 0.801 . . . . 0.0 111.557 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--O 1.251 1.147 0 CA-C-O 117.253 -1.356 . . . . 0.0 110.418 -179.549 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.947 1 O4'-C1'-N19 112.022 5.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.816 0 O4'-C1'-N19 110.508 3.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.304 1 O4'-C1'-N19 111.731 4.913 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.55 0 O4'-C4'-C3' 109.029 3.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 0 O4'-C1'-N19 109.792 2.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.718 1 O4'-C1'-N19 111.308 4.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.403 ' H62' HG23 ' A' ' 72' ' ' THR . . . . . . . . 0 O4'--C4' 1.418 -2.559 1 P-O3'-C3' 125.579 4.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.3 tpp . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -147.4 162.92 38.03 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.131 0.572 . . . . 0.0 110.404 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -150.98 169.24 22.25 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 122.819 0.448 . . . . 0.0 110.988 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 57.89 171.51 0.05 Allowed 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.677 1.591 . . . . 0.0 113.557 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.4 mp -130.47 24.41 5.13 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.026 0.93 . . . . 0.0 109.98 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 56.5 p -67.53 177.8 1.84 Allowed 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.495 0.718 . . . . 0.0 111.287 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -61.47 -15.39 37.06 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.732 0.413 . . . . 0.0 112.11 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -68.65 -47.57 66.24 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.211 0.46 . . . . 0.0 110.879 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.1 p -83.48 -25.1 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 O-C-N 122.443 -0.16 . . . . 0.0 110.587 -178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.0 tp -72.68 -28.45 62.71 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.0 t -78.02 -30.75 16.29 Favored 'Isoleucine or valine' 0 C--O 1.231 0.105 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.38 -30.25 68.2 Favored 'General case' 0 C--N 1.339 0.116 0 O-C-N 121.724 -0.61 . . . . 0.0 110.275 174.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -76.66 -30.75 56.93 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 111.655 0.242 . . . . 0.0 111.655 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.8 t -75.85 -35.78 31.06 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.057 0 O-C-N 121.993 -0.442 . . . . 0.0 111.28 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -75.19 -15.29 60.57 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.493 0.588 . . . . 0.0 111.123 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -77.5 1.62 18.78 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 122.668 0.387 . . . . 0.0 111.408 170.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 100.67 5.45 53.85 Favored Glycine 0 CA--C 1.529 0.949 0 CA-C-O 119.347 -0.696 . . . . 0.0 113.785 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -81.7 110.89 17.46 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.666 1.233 . . . . 0.0 110.03 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.9 tm0? -80.58 -26.82 37.67 Favored 'General case' 0 CA--C 1.532 0.271 0 O-C-N 122.373 -0.204 . . . . 0.0 110.936 -179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.612 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.0 mmpt? -73.71 -31.11 63.23 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 122.006 -0.434 . . . . 0.0 109.956 -178.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.66 -27.01 67.33 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -75.97 -31.85 59.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 177.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -62.93 -35.62 80.71 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 121.915 -0.49 . . . . 0.0 110.205 178.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -72.09 -31.26 65.91 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 176.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.8 tp -71.45 -31.34 67.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.2 t -70.14 -41.17 78.94 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.123 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 68.4 t -66.12 -24.42 33.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.152 0 CA-C-N 118.012 0.369 . . . . 0.0 110.613 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -74.67 -32.48 62.23 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 117.936 0.335 . . . . 0.0 111.59 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -115.38 -3.64 12.42 Favored 'General case' 0 C--N 1.338 0.093 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -174.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -58.51 -32.92 69.27 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 119.602 1.092 . . . . 0.0 112.893 -173.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -87.18 -24.94 24.29 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 118.49 0.586 . . . . 0.0 111.101 -179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.9 tttp -81.5 -35.45 30.4 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.542 0.337 . . . . 0.0 110.217 -177.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.3 p -79.09 -30.56 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 N-CA-C 110.489 -0.189 . . . . 0.0 110.489 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.29 -29.26 68.0 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 122.165 -0.334 . . . . 0.0 110.367 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.1 m -78.71 -22.37 46.75 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.287 -0.258 . . . . 0.0 110.76 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.7 tp -81.71 -44.66 16.78 Favored 'General case' 0 N--CA 1.457 -0.082 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.253 178.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.1 m -76.76 -21.32 14.78 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 C-N-CA 119.916 -0.714 . . . . 0.0 110.728 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.6 t -62.1 -16.01 49.35 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.349 0.26 . . . . 0.0 110.834 177.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -82.73 -6.57 59.47 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 122.154 -0.341 . . . . 0.0 111.551 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -126.91 -14.76 5.53 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.3 m -136.01 154.99 77.97 Favored Pre-proline 0 N--CA 1.463 0.22 0 CA-C-N 118.838 0.745 . . . . 0.0 111.301 176.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -59.27 157.06 32.04 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 123.486 2.791 . . . . 0.0 111.015 174.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 81.0 p -63.24 -18.29 63.38 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 111.579 0.214 . . . . 0.0 111.579 -178.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.52 -11.94 84.77 Favored Glycine 0 CA--C 1.529 0.956 0 CA-C-O 119.398 -0.668 . . . . 0.0 112.038 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -117.3 -5.76 11.3 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.109 0.954 . . . . 0.0 111.886 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.436 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 49.5 t -57.78 -51.53 81.08 Favored Pre-proline 0 CA--C 1.528 0.128 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.932 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 59.5 Cg_endo -66.11 -23.38 53.27 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 121.396 1.397 . . . . 0.0 112.313 -174.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -83.32 -31.99 26.55 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 118.235 0.47 . . . . 0.0 110.513 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 56.0 t -81.99 -27.08 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 122.44 0.296 . . . . 0.0 110.293 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.5 t -72.95 -36.42 51.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.138 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 175.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.89 -21.68 60.88 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 117.78 0.264 . . . . 0.0 110.731 177.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -84.79 -21.39 29.95 Favored 'General case' 0 N--CA 1.452 -0.341 0 O-C-N 121.758 -0.589 . . . . 0.0 110.32 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.04 -35.04 29.18 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 122.316 0.246 . . . . 0.0 111.277 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -80.02 -33.53 39.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 118.089 0.404 . . . . 0.0 110.999 177.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.71 -29.47 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 O-C-N 121.932 -0.48 . . . . 0.0 109.855 -178.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -75.02 -32.03 61.51 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 175.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.5 -36.72 68.44 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 176.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -62.14 -36.45 81.84 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 118.038 0.381 . . . . 0.0 111.606 -177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -89.75 -8.11 52.97 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.96 -3.25 13.39 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.8 tt -75.13 -21.27 58.95 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.279 0.632 . . . . 0.0 111.363 -177.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -70.74 -10.49 59.57 Favored 'General case' 0 CA--C 1.532 0.288 0 O-C-N 122.145 -0.347 . . . . 0.0 110.124 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.7 m -110.19 12.0 23.49 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.004 0.921 . . . . 0.0 111.065 178.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -66.6 135.05 53.55 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 60.2 mtt180 -99.56 -18.21 17.48 Favored 'General case' 0 C--N 1.339 0.124 0 C-N-CA 122.728 0.411 . . . . 0.0 111.856 -174.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.29 19.08 79.89 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.607 -0.597 . . . . 0.0 111.607 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -69.01 -9.57 53.13 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.043 0.537 . . . . 0.0 111.144 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 43.1 t -157.94 173.71 16.35 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.663 0.785 . . . . 0.0 109.314 176.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.03 155.12 11.41 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 175.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -64.34 -31.82 73.18 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -172.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -75.65 -22.23 56.95 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 119.491 -0.884 . . . . 0.0 111.645 -177.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.426 HG23 ' H62' ' B' ' 7' ' ' ' DA' . 15.9 m -66.65 -33.97 76.84 Favored 'General case' 0 N--CA 1.456 -0.163 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 66.5 t90 -81.69 -34.74 30.48 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.705 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.5 -34.99 72.96 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -63.56 -41.46 98.4 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.103 0.561 . . . . 0.0 110.289 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -68.36 -36.83 79.79 Favored 'General case' 0 C--N 1.341 0.221 0 CA-C-N 117.741 0.246 . . . . 0.0 110.579 -178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.7 mt -71.54 -36.18 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.48 -39.58 77.58 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 117.946 0.339 . . . . 0.0 111.868 -175.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.3 p -74.62 -33.26 31.5 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.096 0 CA-C-N 118.412 0.551 . . . . 0.0 110.372 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -80.22 -16.91 53.72 Favored 'General case' 0 N--CA 1.452 -0.333 0 O-C-N 122.458 -0.151 . . . . 0.0 111.056 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.3 m -82.94 -40.28 20.31 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 174.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.55 -30.47 61.76 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 122.216 -0.303 . . . . 0.0 110.953 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -80.63 -32.42 36.28 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.096 -0.377 . . . . 0.0 110.947 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.503 HD22 ' H73' ' B' ' 1' ' ' ' DT' . 57.3 m-20 -76.24 -17.08 59.66 Favored 'General case' 0 CA--C 1.531 0.216 0 O-C-N 122.24 -0.288 . . . . 0.0 110.26 177.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -75.03 -32.05 61.49 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.371 0.268 . . . . 0.0 110.7 175.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.2 mt -71.81 -33.81 68.84 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 122.205 -0.31 . . . . 0.0 111.383 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 p -86.63 -22.85 6.95 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.068 0 CA-C-N 117.556 0.162 . . . . 0.0 110.864 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.11 -19.69 62.42 Favored 'General case' 0 N--CA 1.451 -0.403 0 O-C-N 122.329 -0.232 . . . . 0.0 110.877 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -106.5 -21.98 12.91 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 122.783 0.433 . . . . 0.0 111.124 177.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.22 -12.48 80.69 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-O 119.667 -0.518 . . . . 0.0 112.544 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -111.91 2.6 17.06 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 117.86 0.83 . . . . 0.0 111.291 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -69.54 -12.91 62.03 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.353 0.661 . . . . 0.0 111.826 -176.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 26.8 tp -117.79 2.59 12.24 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.655 0.782 . . . . 0.0 110.867 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -114.46 4.41 15.26 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.188 0.595 . . . . 0.0 111.236 -177.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 96.3 mt -126.18 14.39 7.81 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.71 0.804 . . . . 0.0 110.883 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.8 p . . . . . 0 C--O 1.25 1.113 0 CA-C-O 117.33 -1.319 . . . . 0.0 110.258 -178.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.503 ' H73' HD22 ' A' ' 84' ' ' ASN . . . . . . . . 0 O4'--C4' 1.414 -2.942 1 O4'-C1'-N19 112.49 5.863 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.474 1 O4'-C1'-N19 111.908 5.135 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.459 1 P-O3'-C3' 125.097 4.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.605 0 O4'-C4'-C3' 109.133 3.533 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.256 0 O4'-C1'-N19 109.937 2.671 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.47 1 O4'-C1'-N19 111.585 4.731 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.426 ' H62' HG23 ' A' ' 72' ' ' THR . . . . . . . . 0 C5'--C4' 1.532 2.646 1 O4'-C1'-N19 111.265 4.331 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 110.621 -0.141 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.4 p -149.23 169.09 21.55 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 122.824 0.449 . . . . 0.0 110.785 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -101.52 16.12 26.7 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.568 0.747 . . . . 0.0 111.305 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 59.53 170.23 0.07 Allowed 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.162 1.385 . . . . 0.0 113.038 -176.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 5' ' ' LEU . 7.8 mp -91.94 63.82 4.57 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.959 0.503 . . . . 0.0 110.36 -176.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.4 p -73.53 -179.76 3.67 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 123.361 0.664 . . . . 0.0 110.613 178.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -61.21 -14.86 28.64 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 121.789 -0.569 . . . . 0.0 111.65 178.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -69.8 -44.68 69.54 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 118.291 0.496 . . . . 0.0 110.901 -178.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 m -83.83 -23.65 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.467 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.8 tp -74.28 -30.08 61.94 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.4 t -76.16 -35.47 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.087 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 175.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -72.46 -25.23 61.36 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.159 -0.338 . . . . 0.0 110.388 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -75.27 -29.99 60.32 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.658 0.383 . . . . 0.0 110.626 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.7 t -75.03 -28.52 21.02 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 175.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -72.59 -15.87 61.74 Favored 'General case' 0 CA--C 1.53 0.193 0 O-C-N 122.223 -0.298 . . . . 0.0 110.529 176.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -83.63 4.0 30.36 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 122.778 0.431 . . . . 0.0 111.096 172.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.21 7.16 64.13 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-O 119.453 -0.637 . . . . 0.0 113.063 175.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -79.42 108.83 13.23 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 118.088 0.944 . . . . 0.0 110.153 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -80.18 -27.51 38.9 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 -179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.637 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -71.29 -30.77 66.65 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.99 -28.58 68.37 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -74.22 -30.21 62.07 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 120.908 -0.317 . . . . 0.0 110.255 177.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -64.89 -36.57 84.78 Favored 'General case' 0 N--CA 1.453 -0.312 0 O-C-N 122.181 -0.324 . . . . 0.0 110.29 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.22 -25.08 60.6 Favored 'General case' 0 C--O 1.232 0.157 0 O-C-N 122.09 -0.381 . . . . 0.0 110.466 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 38.1 tp -75.72 -28.45 58.56 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 177.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.8 t -73.29 -44.36 55.31 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.119 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 78.0 t -64.71 -23.8 34.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.157 0 CA-C-N 117.795 0.27 . . . . 0.0 110.63 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -73.15 -37.71 66.5 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.102 0.561 . . . . 0.0 111.657 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -114.43 -0.82 13.65 Favored 'General case' 0 CA--C 1.527 0.08 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -175.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -58.82 -33.77 70.77 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-N 119.551 1.069 . . . . 0.0 112.788 -174.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -86.18 -24.24 26.21 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.46 0.573 . . . . 0.0 111.08 -179.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.4 tttp -83.72 -34.17 24.95 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.211 0.205 . . . . 0.0 110.628 -177.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -78.89 -29.25 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 178.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.01 76.7 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 122.23 -0.293 . . . . 0.0 110.555 177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.2 m -72.95 -22.08 60.76 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 117.545 0.157 . . . . 0.0 110.92 177.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.9 tp -81.26 -42.84 20.07 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-O 119.384 -0.341 . . . . 0.0 111.566 177.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.3 m -81.47 -18.65 11.47 Favored 'Isoleucine or valine' 0 C--N 1.339 0.132 0 CA-C-N 118.822 0.737 . . . . 0.0 111.552 -177.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 52.6 m -60.73 -15.85 33.62 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 118.026 0.375 . . . . 0.0 110.746 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -80.23 -11.14 59.76 Favored 'General case' 0 CA--C 1.528 0.099 0 C-N-CA 123.03 0.532 . . . . 0.0 111.318 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -126.94 -15.73 5.29 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.435 0.902 . . . . 0.0 113.435 -174.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 m -134.75 155.24 79.58 Favored Pre-proline 0 C--O 1.231 0.1 0 CA-C-N 119.095 0.862 . . . . 0.0 111.439 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.91 156.54 38.04 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 123.473 2.782 . . . . 0.0 110.967 174.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 27.1 t -59.94 -20.98 60.48 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.393 0.277 . . . . 0.0 111.714 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.42 -12.94 84.07 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 119.403 -0.665 . . . . 0.0 112.418 179.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -117.86 -3.89 11.16 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.145 0.972 . . . . 0.0 112.106 179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.427 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 63.4 t -58.35 -52.06 77.34 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-O 118.241 -0.885 . . . . 0.0 111.444 178.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 63.8 Cg_endo -67.77 -22.39 43.34 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 121.569 1.513 . . . . 0.0 111.929 -175.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -83.17 -33.11 26.27 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 117.956 0.344 . . . . 0.0 110.726 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 70.8 t -82.08 -29.14 9.54 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.07 0 C-N-CA 122.66 0.384 . . . . 0.0 110.617 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.1 t -69.56 -38.05 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -72.34 -30.31 64.62 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.173 -178.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -75.54 -21.74 57.66 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 122.077 -0.389 . . . . 0.0 110.25 176.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.8 -29.79 35.98 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 119.493 -0.289 . . . . 0.0 111.39 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -83.56 -35.27 24.89 Favored 'General case' 0 N--CA 1.457 -0.118 0 CA-C-N 118.244 0.474 . . . . 0.0 111.135 177.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.51 -29.53 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 118.639 0.654 . . . . 0.0 109.739 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -74.5 -37.19 63.19 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 120.133 -0.627 . . . . 0.0 109.598 174.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.6 -32.68 74.44 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -64.89 -38.4 90.86 Favored 'General case' 0 CA--C 1.529 0.156 0 O-C-N 121.935 -0.478 . . . . 0.0 111.175 -179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 49.6 ptt85 -91.79 -5.39 53.58 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.89 -12.38 14.58 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 117.986 0.357 . . . . 0.0 111.378 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.3 tt -74.97 -19.7 59.98 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 123.593 0.757 . . . . 0.0 111.155 -178.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -71.78 -8.09 52.14 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.431 -0.211 . . . . 0.0 110.431 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.8 t -114.88 2.74 14.41 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.864 0.865 . . . . 0.0 110.748 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -65.57 130.69 44.18 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 83.1 mtm-85 -99.63 -15.71 18.48 Favored 'General case' 0 C--N 1.338 0.072 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -174.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.2 22.08 71.82 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.466 -0.654 . . . . 0.0 111.466 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -69.27 -8.09 42.83 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.596 0.759 . . . . 0.0 111.168 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.8 t -156.79 173.4 17.04 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.112 0.965 . . . . 0.0 109.21 176.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.92 153.29 17.66 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 175.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -63.25 -34.85 78.56 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 121.862 -0.524 . . . . 0.0 111.893 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -73.52 -23.31 59.99 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 118.488 0.585 . . . . 0.0 111.417 -177.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 22.2 m -66.84 -35.27 79.67 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 78.9 t90 -82.0 -32.79 30.4 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.371 0.669 . . . . 0.0 110.934 178.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -70.73 -38.83 73.59 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 178.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -61.84 -38.56 88.68 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.029 0.532 . . . . 0.0 109.635 179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -69.84 -32.87 71.51 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 119.596 -0.24 . . . . 0.0 111.381 -178.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.548 HG12 ' C5 ' ' B' ' 3' ' ' ' DT' . 64.7 mt -77.27 -36.93 24.87 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.062 0 CA-C-N 118.138 0.427 . . . . 0.0 110.168 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.65 -36.08 70.57 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 117.994 0.361 . . . . 0.0 111.775 -175.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 12.0 p -76.07 -34.13 26.1 Favored 'Isoleucine or valine' 0 C--N 1.338 0.07 0 CA-C-N 118.133 0.424 . . . . 0.0 110.602 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -83.42 -17.13 43.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -178.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 26.2 m -87.14 -38.27 16.59 Favored 'General case' 0 C--N 1.335 -0.051 0 CA-C-N 118.571 0.623 . . . . 0.0 110.085 175.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.17 -28.44 64.25 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 122.054 -0.404 . . . . 0.0 111.024 177.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -83.64 -31.05 26.41 Favored 'General case' 0 C--O 1.232 0.184 0 O-C-N 122.097 -0.377 . . . . 0.0 110.923 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -72.37 -21.19 61.33 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 176.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -72.84 -33.65 66.3 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.069 -0.394 . . . . 0.0 110.654 176.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.5 mt -69.79 -29.58 66.92 Favored 'General case' 0 N--CA 1.456 -0.138 0 O-C-N 122.185 -0.322 . . . . 0.0 111.83 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.9 m -91.0 -15.07 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.067 0 CA-C-N 118.085 0.402 . . . . 0.0 111.27 179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.14 -17.31 60.44 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 122.006 0.123 . . . . 0.0 111.056 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -118.52 -19.62 8.72 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 122.504 0.322 . . . . 0.0 110.898 176.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -83.74 -11.48 79.45 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.936 -0.466 . . . . 0.0 111.936 178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -140.39 159.87 41.24 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.598 0.759 . . . . 0.0 110.002 178.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 58.7 ttt180 55.45 10.88 0.52 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.098 1.359 . . . . 0.0 112.829 -177.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 33.8 tp -149.83 -0.22 0.46 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.775 1.23 . . . . 0.0 109.374 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -148.5 153.62 38.7 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 124.111 0.964 . . . . 0.0 109.348 -175.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 34.3 tp -136.52 -6.47 1.98 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.104 0.562 . . . . 0.0 111.334 -178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 C--O 1.252 1.198 0 CA-C-O 117.522 -1.227 . . . . 0.0 110.068 -178.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.801 1 O4'-C1'-N19 111.46 4.575 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.611 " H1'" ' C6 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.421 -2.291 1 O4'-C1'-N19 112.914 6.393 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.611 ' C6 ' " H1'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.419 -2.468 0 O4'-C1'-N19 110.67 3.588 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.307 0 O4'-C4'-C3' 109.466 3.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.6 0 O4'-C1'-N19 109.839 2.549 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.388 1 O4'-C1'-N19 111.913 5.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.7 1 O4'-C1'-N19 111.026 4.033 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.5 t -148.89 157.75 43.66 Favored 'General case' 0 C--O 1.23 0.076 0 C-N-CA 123.247 0.619 . . . . 0.0 109.735 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -151.34 164.08 37.47 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 122.801 0.441 . . . . 0.0 110.847 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -139.62 155.58 47.35 Favored 'General case' 0 C--O 1.231 0.101 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.405 ' N ' HD12 ' A' ' 5' ' ' LEU . 7.7 mp -88.57 45.05 1.25 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.43 0.692 . . . . 0.0 111.036 -176.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.3 p -68.63 172.42 6.29 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-O 121.053 0.454 . . . . 0.0 110.687 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -65.66 -16.74 64.03 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 122.035 -0.415 . . . . 0.0 111.36 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -72.33 -42.92 64.84 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.906 -0.496 . . . . 0.0 111.003 -177.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.0 p -83.36 -24.4 8.05 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.7 tp -80.3 -30.43 38.21 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 122.343 -0.223 . . . . 0.0 110.465 -177.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.4 t -75.51 -39.18 40.32 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.056 0 O-C-N 122.214 -0.303 . . . . 0.0 110.805 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -72.9 -23.96 60.78 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.807 0.73 . . . . 0.0 110.598 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -72.95 -29.65 63.25 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 122.083 -0.386 . . . . 0.0 110.323 177.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.9 t -76.37 -26.02 16.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 O-C-N 122.128 -0.358 . . . . 0.0 110.18 174.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -71.13 -15.86 62.52 Favored 'General case' 0 C--N 1.34 0.173 0 O-C-N 121.98 -0.45 . . . . 0.0 110.332 175.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -82.79 3.59 28.8 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 122.665 0.386 . . . . 0.0 111.09 171.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.01 11.31 73.48 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.921 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -78.6 117.1 19.45 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 118.159 0.98 . . . . 0.0 110.628 -177.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.462 HE21 ' HA ' ' A' ' 19' ' ' GLN . 3.0 mm-40 -80.0 -21.77 43.24 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.657 0.383 . . . . 0.0 111.986 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -76.17 -29.86 57.88 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.97 -30.74 65.58 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.328 176.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -80.62 -35.78 33.58 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.596 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -61.46 -34.63 75.78 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 122.001 -0.437 . . . . 0.0 110.384 178.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 mp -76.86 -28.25 55.37 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.377 0.271 . . . . 0.0 110.528 177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.6 tp -73.73 -28.61 61.79 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.576 0.35 . . . . 0.0 110.114 175.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.1 t -72.68 -46.07 55.41 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 175.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.24 -23.69 33.97 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.117 0 CA-C-N 117.884 0.311 . . . . 0.0 110.437 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -73.7 -36.36 65.25 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 122.565 0.346 . . . . 0.0 111.654 -179.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -115.03 0.26 13.6 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -175.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -60.98 -30.34 70.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 119.536 1.062 . . . . 0.0 113.135 -174.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -82.93 -29.44 29.14 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 118.534 0.607 . . . . 0.0 110.445 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.666 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 8.2 tmtt? -72.25 -46.14 57.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.42 0.688 . . . . 0.0 110.943 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.9 p -72.38 -31.36 38.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.167 -177.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.73 -27.46 65.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 117.885 0.312 . . . . 0.0 110.389 178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.7 m -80.46 -22.21 41.3 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 122.564 0.346 . . . . 0.0 110.356 177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.0 tp -85.26 -42.22 14.85 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.832 0.453 . . . . 0.0 111.33 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 m -79.04 -21.29 12.69 Favored 'Isoleucine or valine' 0 C--N 1.338 0.094 0 CA-C-N 118.653 0.66 . . . . 0.0 110.543 -178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -60.84 -15.88 35.16 Favored 'General case' 0 CA--C 1.531 0.242 0 O-C-N 122.223 -0.298 . . . . 0.0 110.771 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -80.0 -10.94 59.81 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 122.807 0.443 . . . . 0.0 111.501 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 -127.07 -14.34 5.52 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -176.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.2 m -137.77 153.6 74.05 Favored Pre-proline 0 C--O 1.233 0.201 0 CA-C-N 118.388 0.54 . . . . 0.0 110.657 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.81 161.97 43.88 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.648 2.899 . . . . 0.0 110.157 176.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.2 p -60.14 -18.02 44.63 Favored 'General case' 0 C--O 1.232 0.137 0 C-N-CA 123.183 0.593 . . . . 0.0 112.551 -175.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.02 -15.85 81.1 Favored Glycine 0 CA--C 1.528 0.866 0 CA-C-O 119.575 -0.569 . . . . 0.0 112.508 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -118.73 -5.91 10.64 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 117.911 0.855 . . . . 0.0 111.982 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.446 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 53.8 t -56.99 -50.71 86.65 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.792 179.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 61.4 Cg_endo -67.44 -22.02 45.91 Favored 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 121.566 1.511 . . . . 0.0 111.876 -175.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -84.59 -33.79 23.29 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 122.113 -0.367 . . . . 0.0 110.624 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 78.6 t -80.13 -30.48 12.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.692 0.397 . . . . 0.0 110.162 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.6 t -70.3 -37.04 69.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -71.56 -28.41 63.83 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 121.126 -0.229 . . . . 0.0 110.748 -177.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 tp10 -80.4 -27.73 38.02 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 117.878 0.308 . . . . 0.0 110.409 175.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.67 -32.3 72.03 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.054 -0.404 . . . . 0.0 111.046 -177.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -84.56 -34.93 23.13 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 117.964 0.347 . . . . 0.0 111.351 176.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -74.36 -28.81 23.25 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.138 0 O-C-N 121.593 -0.692 . . . . 0.0 110.184 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -73.45 -34.21 65.28 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 175.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.47 -32.89 64.57 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 176.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -62.34 -40.61 96.93 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 118.395 0.543 . . . . 0.0 111.557 -176.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -90.27 -7.08 54.34 Favored 'General case' 0 C--O 1.23 0.076 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.93 -7.51 18.13 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 175.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 tt -75.61 -18.88 59.57 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 123.446 0.698 . . . . 0.0 110.46 -178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.77 -8.47 56.13 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.481 0.313 . . . . 0.0 110.308 173.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.1 m -114.92 8.07 15.81 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.085 0.954 . . . . 0.0 111.168 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -68.4 130.54 43.2 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 178.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 89.1 mtm-85 -99.29 -16.11 18.6 Favored 'General case' 0 C--O 1.231 0.091 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -175.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.64 21.68 74.21 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.344 -0.702 . . . . 0.0 111.344 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -65.77 -10.37 36.72 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 122.995 0.518 . . . . 0.0 110.743 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 46.0 t -156.32 174.86 14.79 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.605 1.162 . . . . 0.0 108.528 175.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.97 154.54 18.68 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -62.87 -32.49 73.74 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 122.104 -0.373 . . . . 0.0 111.746 -175.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.666 ' CZ ' ' HE3' ' A' ' 32' ' ' LYS . 62.3 t80 -68.81 -28.99 67.25 Favored 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 122.104 -0.372 . . . . 0.0 110.903 -178.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.2 m -67.45 -34.87 78.07 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 -179.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -82.64 -31.79 28.6 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.442 0.697 . . . . 0.0 111.276 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -38.98 72.3 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -66.57 -39.61 88.57 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.9 tpp85 -69.22 -31.8 70.62 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 123.172 0.589 . . . . 0.0 111.475 -176.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.8 mt -76.53 -36.09 27.42 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.114 0 CA-C-N 117.983 0.356 . . . . 0.0 110.091 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.81 -39.64 83.96 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.123 0.42 . . . . 0.0 111.844 -175.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.3 p -73.98 -32.81 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 117.855 0.298 . . . . 0.0 110.452 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 -83.04 -17.55 42.89 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 119.382 -0.342 . . . . 0.0 111.74 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.4 m -82.0 -38.87 24.42 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 118.819 0.736 . . . . 0.0 109.794 176.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.9 -28.31 62.4 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 122.359 -0.213 . . . . 0.0 110.844 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -83.01 -31.35 27.51 Favored 'General case' 0 C--O 1.231 0.09 0 O-C-N 122.197 -0.314 . . . . 0.0 110.867 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -74.53 -19.48 60.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -73.55 -33.48 64.72 Favored 'General case' 0 CA--C 1.528 0.134 0 O-C-N 122.102 -0.374 . . . . 0.0 110.769 175.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.5 mt -71.29 -26.85 63.04 Favored 'General case' 0 CA--C 1.528 0.121 0 O-C-N 122.063 -0.398 . . . . 0.0 111.595 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.5 m -92.35 -15.2 8.23 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.112 0 CA-C-N 118.189 0.45 . . . . 0.0 111.24 176.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.87 -20.11 63.41 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 175.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -110.8 -19.05 12.97 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 122.953 0.501 . . . . 0.0 110.824 176.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -81.69 -8.86 86.33 Favored Glycine 0 CA--C 1.527 0.836 0 N-CA-C 112.106 -0.397 . . . . 0.0 112.106 177.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -118.67 12.82 13.19 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.779 0.832 . . . . 0.0 111.076 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -61.48 124.0 19.42 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 -177.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 87.0 mt 54.79 19.5 2.59 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.588 1.155 . . . . 0.0 113.703 -177.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -88.69 -9.63 51.32 Favored 'General case' 0 C--N 1.343 0.285 0 CA-C-N 118.375 0.534 . . . . 0.0 111.055 176.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.6 tp 54.72 25.31 6.36 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.374 1.07 . . . . 0.0 113.057 178.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.25 1.086 0 CA-C-O 117.251 -1.357 . . . . 0.0 110.935 178.161 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.434 " H3'" H5'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.414 -2.901 1 O4'-C1'-N19 113.338 6.923 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.434 H5'' " H3'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.53 2.328 1 O4'-C1'-N19 111.162 4.203 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.446 0 O4'-C1'-N19 110.361 3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.516 0 O4'-C4'-C3' 109.214 3.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.911 0 O4'-C1'-N19 109.937 2.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.524 1 O4'-C1'-N19 112.273 5.592 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.599 0 O4'-C1'-N19 110.888 3.859 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.471 0.61 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 m 59.25 163.02 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 124.711 1.205 . . . . 0.0 112.969 -175.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 45.43 23.23 0.12 Allowed 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.286 1.435 . . . . 0.0 113.825 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -143.36 162.79 34.8 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 123.746 0.818 . . . . 0.0 109.9 -177.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.2 mp -115.27 25.76 10.61 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.618 0.767 . . . . 0.0 110.321 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.9 p -66.49 177.47 1.53 Allowed 'General case' 0 C--O 1.231 0.101 0 C-N-CA 123.352 0.661 . . . . 0.0 111.261 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -62.6 -16.88 58.74 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 122.884 0.474 . . . . 0.0 111.979 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -66.42 -45.41 80.0 Favored 'General case' 0 N--CA 1.456 -0.149 0 O-C-N 121.747 -0.596 . . . . 0.0 110.737 -177.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.3 p -84.01 -25.54 7.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 CA-C-N 116.92 -0.127 . . . . 0.0 110.878 -178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 28.0 tp -78.55 -29.57 46.41 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 122.463 -0.148 . . . . 0.0 110.851 -178.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.2 t -75.0 -40.2 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 O-C-N 122.107 -0.37 . . . . 0.0 110.379 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.74 -21.52 61.01 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 119.293 -0.963 . . . . 0.0 110.788 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -71.89 -31.76 66.74 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 117.835 0.289 . . . . 0.0 110.327 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -73.61 -28.01 24.15 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.027 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 175.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -71.7 -15.36 62.2 Favored 'General case' 0 N--CA 1.455 -0.187 0 O-C-N 121.986 -0.446 . . . . 0.0 110.834 176.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -85.64 3.77 39.38 Favored 'General case' 0 C--N 1.339 0.121 0 C-N-CA 122.926 0.49 . . . . 0.0 111.127 173.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.87 7.96 62.3 Favored Glycine 0 C--N 1.339 0.746 0 C-N-CA 123.538 0.59 . . . . 0.0 112.859 175.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -79.66 110.03 14.62 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-N 118.328 1.064 . . . . 0.0 109.927 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -80.12 -27.89 39.07 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 122.448 -0.157 . . . . 0.0 110.683 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.638 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -71.5 -31.2 66.82 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 -178.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.44 -28.63 68.75 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 176.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -74.63 -30.71 61.74 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -65.14 -34.59 78.76 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 121.989 -0.445 . . . . 0.0 110.37 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.51 -26.03 57.75 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.26 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.5 tp -76.36 -31.03 57.84 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 49.2 t -68.2 -48.66 72.8 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 94.9 t -68.09 -23.89 29.44 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 CA-C-N 117.825 0.284 . . . . 0.0 110.619 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -69.66 -30.94 68.74 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 122.39 0.276 . . . . 0.0 111.025 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -114.48 -0.32 13.77 Favored 'General case' 0 C--O 1.227 -0.115 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -58.35 -39.71 80.24 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 118.608 0.64 . . . . 0.0 112.147 -173.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -83.1 -23.15 33.18 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 122.028 -0.42 . . . . 0.0 110.888 -178.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -84.97 -32.62 22.91 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 120.46 0.171 . . . . 0.0 110.873 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.0 p -80.43 -28.33 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.77 -27.31 64.82 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 177.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.4 m -78.3 -21.44 49.69 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.886 0.474 . . . . 0.0 110.904 175.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -84.28 -44.46 13.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 119.35 -0.357 . . . . 0.0 111.781 177.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 m -79.01 -22.17 12.71 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-N 118.824 0.738 . . . . 0.0 111.697 -176.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 97.2 p -62.13 -15.44 45.75 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.043 0.383 . . . . 0.0 111.111 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 87.7 mtt180 -78.7 -9.42 59.41 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.471 0.708 . . . . 0.0 111.277 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.445 ' CE2' HG23 ' A' ' 79' ' ' VAL . 52.2 m-85 -126.94 -16.64 5.08 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -177.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.7 m -135.11 153.11 78.14 Favored Pre-proline 0 C--N 1.34 0.163 0 CA-C-N 118.295 0.498 . . . . 0.0 110.425 176.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -70.26 161.43 46.01 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 123.294 2.663 . . . . 0.0 109.698 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.6 m -59.28 -16.05 19.34 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.316 0.646 . . . . 0.0 112.695 -175.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.55 -14.98 81.54 Favored Glycine 0 CA--C 1.529 0.929 0 CA-C-O 119.516 -0.602 . . . . 0.0 112.464 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -118.69 -6.48 10.63 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 117.865 0.833 . . . . 0.0 112.098 -179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.433 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 57.4 t -56.09 -51.02 83.97 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-O 118.283 -0.865 . . . . 0.0 112.162 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 65.3 Cg_endo -67.8 -21.81 44.01 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 121.586 1.524 . . . . 0.0 112.13 -174.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -85.76 -30.93 22.67 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.1 0.409 . . . . 0.0 110.674 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 71.4 t -81.76 -29.97 10.31 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.096 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 178.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 38.4 t -70.94 -38.24 71.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -72.79 -27.58 62.07 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 120.971 -0.291 . . . . 0.0 110.252 -177.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -78.31 -23.04 47.27 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 122.05 -0.406 . . . . 0.0 110.384 176.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.32 -28.08 42.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 119.478 -0.296 . . . . 0.0 111.488 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -84.37 -33.39 23.82 Favored 'General case' 0 N--CA 1.457 -0.091 0 CA-C-N 118.133 0.424 . . . . 0.0 110.979 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.5 mp -73.45 -27.55 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.083 0 CA-C-N 118.762 0.71 . . . . 0.0 109.714 177.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -72.98 -34.98 66.79 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 173.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.54 -38.01 74.12 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -61.76 -38.85 89.54 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 118.029 0.377 . . . . 0.0 111.692 -177.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.9 ptm180 -87.9 -5.19 58.7 Favored 'General case' 0 C--N 1.339 0.12 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -177.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -118.62 -4.36 10.78 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 tt -74.17 -19.75 60.45 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.672 -0.642 . . . . 0.0 111.174 -176.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -74.65 -5.41 42.92 Favored 'General case' 0 N--CA 1.452 -0.361 0 O-C-N 122.16 -0.337 . . . . 0.0 110.814 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.2 m -114.66 6.19 15.61 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.159 0.984 . . . . 0.0 110.951 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -66.92 130.31 42.73 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.6 mtm-85 -99.55 -17.15 18.0 Favored 'General case' 0 C--O 1.231 0.13 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -174.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 77.67 22.65 69.1 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -66.44 -10.58 45.49 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.28 0.632 . . . . 0.0 110.648 178.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.0 t -156.38 172.79 17.89 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.298 1.039 . . . . 0.0 109.03 176.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.07 154.66 12.35 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -64.32 -33.06 74.96 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.824 -0.547 . . . . 0.0 112.041 -173.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -70.67 -22.59 62.46 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.816 0.735 . . . . 0.0 111.054 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.7 m -69.95 -35.03 74.18 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -82.46 -27.85 31.63 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.96 0.504 . . . . 0.0 110.93 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.14 -42.55 55.92 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -60.43 -40.06 89.68 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 177.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 43.5 tpt85 -65.07 -38.15 89.86 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.929 0.892 . . . . 0.0 110.995 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.4 mt -78.81 -35.81 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.84 -36.45 72.88 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 117.897 0.317 . . . . 0.0 111.714 -176.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.445 HG23 ' CE2' ' A' ' 40' ' ' TYR . 10.4 p -77.42 -27.74 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 CA-C-N 118.129 0.422 . . . . 0.0 110.527 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.439 HD21 ' N2 ' ' B' ' 2' ' ' ' DG' . 42.5 t-20 -80.77 -28.8 36.28 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 178.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.4 m -76.17 -39.31 55.2 Favored 'General case' 0 N--CA 1.457 -0.086 0 O-C-N 121.957 -0.465 . . . . 0.0 110.32 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.55 -30.15 64.18 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 117.814 0.279 . . . . 0.0 110.964 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -82.46 -29.9 30.32 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.388 -0.195 . . . . 0.0 110.634 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 -72.96 -22.82 60.64 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -71.99 -34.04 68.59 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 121.992 -0.443 . . . . 0.0 110.437 177.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.6 mt -68.96 -27.92 66.16 Favored 'General case' 0 CA--C 1.527 0.094 0 O-C-N 122.22 -0.3 . . . . 0.0 111.495 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.0 m -94.99 -15.19 7.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 117.93 0.332 . . . . 0.0 111.53 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.45 -16.2 62.9 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 122.213 -0.305 . . . . 0.0 110.488 176.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -116.49 -9.74 11.38 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.761 0.424 . . . . 0.0 111.219 176.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -88.86 -18.95 53.32 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 112.021 -0.432 . . . . 0.0 112.021 178.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -154.7 175.13 14.07 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 123.798 0.839 . . . . 0.0 109.738 177.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 58.32 12.12 1.87 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.415 1.086 . . . . 0.0 112.048 -175.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 37.6 tp -148.88 -7.48 0.37 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.985 0.914 . . . . 0.0 110.078 178.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -106.84 3.45 26.38 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.561 0.745 . . . . 0.0 111.466 -176.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.5 tp -136.9 -2.9 2.06 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.046 0.538 . . . . 0.0 111.253 -178.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--O 1.252 1.218 0 CA-C-O 117.746 -1.121 . . . . 0.0 110.528 -178.709 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.676 1 O4'-C1'-N19 111.89 5.113 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.589 " H1'" ' C6 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.831 1 O4'-C1'-N19 112.956 6.445 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.589 ' C6 ' " H1'" ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.421 -2.279 1 O4'-C1'-N19 111.596 4.745 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.553 0 O4'-C4'-C3' 109.097 3.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.229 0 O4'-C1'-N19 109.992 2.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.37 1 O4'-C1'-N19 111.418 4.523 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.487 1 P-O3'-C3' 125.24 4.617 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.475 0.798 0 CA-C-O 120.398 0.142 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.7 p -149.84 162.65 39.88 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.969 0.508 . . . . 0.0 110.724 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -87.63 162.51 17.09 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.673 0.389 . . . . 0.0 110.921 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -139.29 167.68 21.52 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.611 0.764 . . . . 0.0 110.018 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.2 mp -80.35 82.93 6.28 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.6 p -72.22 168.66 17.79 Favored 'General case' 0 C--N 1.333 -0.117 0 C-N-CA 123.256 0.622 . . . . 0.0 109.771 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -63.92 -16.95 62.67 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.192 -0.318 . . . . 0.0 111.04 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -75.95 -45.34 35.47 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 122.071 -0.393 . . . . 0.0 110.62 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.8 p -84.37 -26.16 7.15 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-N 118.007 0.367 . . . . 0.0 110.836 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.0 tp -73.02 -27.99 62.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 -179.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.1 t -76.7 -36.48 27.09 Favored 'Isoleucine or valine' 0 C--N 1.338 0.092 0 CA-C-O 119.373 -0.346 . . . . 0.0 110.222 175.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -66.17 -30.13 70.54 Favored 'General case' 0 C--N 1.338 0.096 0 CA-C-N 118.659 0.663 . . . . 0.0 110.125 176.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -72.34 -31.28 65.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.09 0.156 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -74.72 -29.18 22.68 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 118.041 0.382 . . . . 0.0 110.025 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -72.15 -15.3 61.97 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 117.9 0.318 . . . . 0.0 110.931 176.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -83.91 3.84 32.19 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 122.823 0.449 . . . . 0.0 111.232 172.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.36 9.02 65.57 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.593 -0.559 . . . . 0.0 112.973 176.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -78.93 111.98 15.65 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 118.035 0.917 . . . . 0.0 109.889 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -80.22 -28.22 38.63 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.621 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.7 mmpt? -71.72 -28.51 63.73 Favored 'General case' 0 C--O 1.227 -0.128 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.52 -27.92 65.59 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.37 -33.41 37.23 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 122.449 -0.157 . . . . 0.0 110.884 177.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -64.73 -34.32 78.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.9 mp -75.33 -28.41 59.61 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 122.763 0.425 . . . . 0.0 110.017 176.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 tp -72.45 -30.22 64.38 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.84 0.456 . . . . 0.0 110.091 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.0 -46.41 59.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.5 t -63.25 -23.66 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 CA-C-N 117.607 0.185 . . . . 0.0 110.512 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -73.37 -36.32 66.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.781 0.432 . . . . 0.0 111.775 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -114.81 0.21 13.73 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.931 1.456 . . . . 0.0 114.931 -175.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -60.66 -29.42 69.28 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 119.229 0.922 . . . . 0.0 113.28 -174.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -86.04 -26.69 25.23 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.59 0.632 . . . . 0.0 110.408 179.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.728 ' HE2' ' CZ ' ' A' ' 71' ' ' TYR . 2.2 tmtm? -73.8 -43.91 57.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.768 0.827 . . . . 0.0 110.813 179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.1 -31.62 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.982 -177.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.61 -28.43 67.73 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 117.992 0.36 . . . . 0.0 110.358 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.3 m -79.86 -22.19 43.21 Favored 'General case' 0 C--O 1.231 0.112 0 C-N-CA 122.641 0.376 . . . . 0.0 110.867 178.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 tp -83.9 -40.42 18.61 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.49 0.316 . . . . 0.0 111.581 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 m -80.86 -22.29 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 CA-C-N 118.526 0.603 . . . . 0.0 111.16 -178.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.2 m -60.88 -15.71 33.65 Favored 'General case' 0 CA--C 1.528 0.104 0 CA-C-N 118.161 0.437 . . . . 0.0 111.127 175.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -79.76 -10.53 59.8 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.338 0.655 . . . . 0.0 111.306 179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -126.72 -18.28 4.79 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.2 m -133.1 153.69 80.95 Favored Pre-proline 0 CA--C 1.528 0.114 0 CA-C-N 118.476 0.58 . . . . 0.0 110.621 177.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -70.41 160.96 47.75 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.586 2.857 . . . . 0.0 109.776 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.3 p -58.99 -17.98 29.94 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -174.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.19 -14.85 81.9 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-O 119.321 -0.71 . . . . 0.0 112.54 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -118.73 -7.52 10.5 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.23 1.015 . . . . 0.0 112.29 -178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.44 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 79.6 t -55.72 -51.49 79.83 Favored Pre-proline 0 CA--C 1.53 0.195 0 CA-C-O 118.305 -0.855 . . . . 0.0 111.926 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.0 Cg_endo -66.14 -24.57 51.59 Favored 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 121.386 1.391 . . . . 0.0 112.242 -174.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -85.27 -31.2 23.23 Favored 'General case' 0 N--CA 1.456 -0.156 0 O-C-N 121.979 -0.45 . . . . 0.0 110.997 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 66.1 t -78.67 -29.18 14.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 178.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 49.5 t -71.44 -33.69 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 174.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -72.85 -27.98 62.26 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 119.737 -0.173 . . . . 0.0 111.021 -176.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.3 tp10 -82.06 -26.82 33.36 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.389 0.54 . . . . 0.0 110.145 175.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.96 -34.63 76.94 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.988 -0.445 . . . . 0.0 111.129 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -84.58 -35.13 22.99 Favored 'General case' 0 N--CA 1.456 -0.166 0 O-C-N 121.991 -0.443 . . . . 0.0 111.393 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.13 -30.08 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 118.62 0.646 . . . . 0.0 110.121 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.405 ' HA ' ' HE ' ' A' ' 59' ' ' ARG . 56.4 tptt -73.17 -33.4 65.42 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 175.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.27 -32.13 64.48 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 119.618 -0.23 . . . . 0.0 110.487 176.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -64.98 -38.13 89.95 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.37 0.532 . . . . 0.0 111.404 -177.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.405 ' HE ' ' HA ' ' A' ' 56' ' ' LYS . 25.3 ptt180 -91.93 -5.5 53.05 Favored 'General case' 0 C--N 1.338 0.105 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.34 -7.97 15.15 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 176.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.1 tt -74.76 -20.02 59.98 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.118 0.567 . . . . 0.0 110.872 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.45 -8.0 54.07 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 174.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 42.0 m -114.58 9.87 16.68 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.241 1.017 . . . . 0.0 110.839 178.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 49.0 t80 -67.37 131.89 46.61 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 74.0 mtm-85 -99.4 -16.83 18.26 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -174.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.21 19.5 79.64 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.713 -0.555 . . . . 0.0 111.713 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -66.17 -11.62 50.67 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.316 0.646 . . . . 0.0 110.809 178.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.1 t -155.93 173.72 16.37 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.492 1.117 . . . . 0.0 108.946 177.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.72 154.61 21.14 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 176.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -62.64 -34.33 76.84 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 122.077 -0.389 . . . . 0.0 111.641 -175.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.728 ' CZ ' ' HE2' ' A' ' 32' ' ' LYS . 56.9 t80 -68.03 -31.38 71.02 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 117.594 0.179 . . . . 0.0 110.996 -177.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.1 m -65.99 -34.7 78.7 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -82.03 -33.45 29.98 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.379 0.672 . . . . 0.0 110.748 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.92 -36.24 79.83 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -65.09 -42.99 93.52 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.613 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 38.4 mmt180 -65.67 -36.44 83.65 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.031 0.378 . . . . 0.0 111.896 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.8 mt -71.68 -34.76 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 120.679 -0.408 . . . . 0.0 110.134 -178.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.87 -40.38 69.0 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 118.052 0.387 . . . . 0.0 111.946 -175.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.78 -31.23 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.052 0 CA-C-N 118.161 0.437 . . . . 0.0 110.156 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -83.01 -22.94 33.48 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 119.371 -0.347 . . . . 0.0 111.25 -179.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.4 m -74.06 -39.58 63.4 Favored 'General case' 0 N--CA 1.458 -0.062 0 CA-C-N 118.795 0.725 . . . . 0.0 109.353 175.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.04 -29.49 60.79 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 122.055 0.142 . . . . 0.0 111.079 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -82.34 -31.71 29.69 Favored 'General case' 0 C--O 1.233 0.198 0 O-C-N 122.012 -0.43 . . . . 0.0 110.789 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -73.85 -21.27 60.17 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 175.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -72.1 -31.38 66.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 119.712 -0.185 . . . . 0.0 110.96 176.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.24 -34.33 65.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 118.314 0.507 . . . . 0.0 111.735 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.7 m -79.65 -14.99 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.103 0 CA-C-N 118.088 0.404 . . . . 0.0 110.839 177.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.38 -19.81 60.9 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.026 0.13 . . . . 0.0 110.735 173.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -87.9 -25.47 23.22 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 117.791 0.268 . . . . 0.0 111.426 177.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -90.56 -4.22 70.65 Favored Glycine 0 CA--C 1.525 0.659 0 CA-C-O 119.717 -0.491 . . . . 0.0 112.652 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 81.3 mtm180 -132.93 170.05 15.9 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.62 0.768 . . . . 0.0 109.938 -177.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 77.6 mtp85 54.56 19.29 2.34 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.286 1.035 . . . . 0.0 113.146 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -149.63 32.9 0.7 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 121.199 0.523 . . . . 0.0 109.817 -177.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -131.4 6.86 4.5 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.622 0.769 . . . . 0.0 111.58 -178.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.5 tp -136.98 4.53 2.75 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.491 0.716 . . . . 0.0 110.646 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 13.3 p . . . . . 0 C--O 1.251 1.163 0 CA-C-O 117.058 -1.448 . . . . 0.0 110.063 -178.864 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.433 1 O4'-C1'-N19 111.981 5.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.502 1 O4'-C1'-N19 111.718 4.898 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.51 1 P-O3'-C3' 125.186 4.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.399 0 O4'-C4'-C3' 108.948 3.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.201 0 O4'-C1'-N19 110.111 2.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.504 1 O4'-C1'-N19 112.399 5.749 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.145 0 C5'-C4'-C3' 108.974 -3.817 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.564 -0.161 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -135.1 10.88 3.57 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.844 0.457 . . . . 0.0 111.364 -179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -80.21 160.73 25.51 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 122.067 -0.396 . . . . 0.0 110.586 -179.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.5 mm-40 -90.08 153.86 20.23 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 122.544 0.338 . . . . 0.0 110.965 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.7 mp -90.97 73.42 6.45 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 80.4 p -65.1 168.3 6.84 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 122.748 0.419 . . . . 0.0 110.04 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -62.45 -17.27 59.05 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 122.124 -0.36 . . . . 0.0 111.682 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -75.55 -47.12 28.2 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.033 -0.417 . . . . 0.0 110.763 -178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -83.11 -28.17 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 CA-C-N 117.636 0.198 . . . . 0.0 110.82 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.2 tp -70.32 -27.9 64.74 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 42.7 t -78.22 -36.83 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 O-C-N 122.321 -0.237 . . . . 0.0 110.461 175.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -67.05 -27.47 67.42 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 118.555 0.616 . . . . 0.0 110.147 176.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 52.5 ttm-85 -74.22 -31.9 62.8 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.04 0.536 . . . . 0.0 110.724 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.9 t -76.2 -29.02 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.171 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 175.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -70.9 -15.29 62.6 Favored 'General case' 0 CA--C 1.531 0.223 0 O-C-N 121.988 -0.445 . . . . 0.0 110.293 174.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -82.43 -0.66 47.2 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.221 0.608 . . . . 0.0 110.8 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 93.17 6.64 62.93 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-O 119.605 -0.553 . . . . 0.0 112.735 178.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -78.23 109.85 12.72 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.067 0.933 . . . . 0.0 109.701 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 tm0? -80.34 -28.38 38.12 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 122.483 -0.136 . . . . 0.0 110.738 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.623 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.2 mmpt? -71.28 -30.79 66.71 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.11 68.77 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -74.19 -30.47 62.23 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.213 177.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -64.94 -36.43 84.36 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 122.07 -0.394 . . . . 0.0 110.379 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.3 -26.79 62.09 Favored 'General case' 0 CA--C 1.528 0.117 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.5 tp -75.75 -29.44 58.85 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 122.671 0.388 . . . . 0.0 110.057 178.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.7 t -72.51 -45.66 58.29 Favored 'Isoleucine or valine' 0 C--N 1.339 0.143 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.2 t -64.44 -23.63 33.84 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -75.82 -33.25 60.08 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 122.864 0.465 . . . . 0.0 111.976 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -114.76 -2.3 13.02 Favored 'General case' 0 C--N 1.337 0.056 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 -176.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.6 pt20 -60.27 -29.61 68.91 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.409 1.004 . . . . 0.0 112.703 -173.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -85.53 -28.51 24.89 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 118.521 0.6 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -80.46 -36.05 34.05 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 122.371 0.268 . . . . 0.0 110.68 -177.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.8 p -78.11 -29.95 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.61 -27.47 66.06 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.4 m -78.58 -22.24 47.43 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.185 0.194 . . . . 0.0 110.529 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.3 tp -84.16 -45.29 13.12 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 122.573 0.349 . . . . 0.0 111.587 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.3 m -76.39 -20.88 15.11 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 C-N-CA 119.84 -0.744 . . . . 0.0 110.846 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.6 t -61.28 -16.03 41.35 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 122.094 -0.378 . . . . 0.0 110.76 176.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.3 mtp85 -79.41 -9.07 59.52 Favored 'General case' 0 CA--C 1.529 0.164 0 C-N-CA 122.937 0.495 . . . . 0.0 111.607 178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -126.93 -13.3 5.79 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -177.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -138.05 154.88 74.58 Favored Pre-proline 0 CA--C 1.529 0.142 0 CA-C-N 118.663 0.665 . . . . 0.0 111.251 177.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -58.88 156.43 33.27 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 123.654 2.902 . . . . 0.0 111.025 173.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.0 p -62.43 -17.68 59.93 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.15 -12.7 84.09 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 119.521 -0.6 . . . . 0.0 112.155 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -118.38 -4.27 10.9 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.077 0.939 . . . . 0.0 112.134 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.451 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 48.8 t -58.39 -50.16 89.59 Favored Pre-proline 0 C--N 1.34 0.183 0 CA-C-O 118.255 -0.879 . . . . 0.0 112.074 178.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 59.0 Cg_endo -66.37 -22.47 52.55 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.316 1.344 . . . . 0.0 112.032 -174.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -84.23 -32.03 24.7 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-N 118.112 0.415 . . . . 0.0 110.791 178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 65.8 t -80.95 -27.96 11.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.2 t -72.52 -35.89 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 175.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -72.83 -21.7 60.92 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 117.754 0.252 . . . . 0.0 110.436 176.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -83.78 -20.74 32.77 Favored 'General case' 0 N--CA 1.452 -0.371 0 O-C-N 121.702 -0.624 . . . . 0.0 110.206 175.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.95 -34.02 26.6 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 119.552 -0.261 . . . . 0.0 111.513 -179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -81.56 -31.99 32.41 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.098 0.408 . . . . 0.0 110.959 178.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.1 mp -75.53 -30.17 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -73.32 -31.72 64.16 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 174.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -75.5 -31.76 60.3 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 119.481 -0.295 . . . . 0.0 110.679 178.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -63.77 -39.8 95.14 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.486 0.585 . . . . 0.0 111.409 -178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -92.09 -5.48 52.71 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.17 -4.52 16.48 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 176.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.0 tt -79.01 -17.39 55.44 Favored 'General case' 0 C--O 1.231 0.097 0 C-N-CA 122.898 0.479 . . . . 0.0 111.051 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -70.52 -11.36 60.87 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 122.072 -0.393 . . . . 0.0 111.232 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 80.5 p -114.99 8.43 15.81 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.459 0.703 . . . . 0.0 111.274 177.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -67.27 130.24 42.46 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 77.2 mtm-85 -99.41 -16.03 18.54 Favored 'General case' 0 CA--C 1.527 0.061 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -174.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.58 23.49 62.4 Favored Glycine 0 CA--C 1.529 0.907 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -67.82 -9.4 44.15 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.104 0.562 . . . . 0.0 111.211 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 44.1 t -157.21 172.91 17.79 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.09 0.956 . . . . 0.0 109.068 178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.87 151.86 20.67 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 175.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -62.85 -33.5 75.4 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -172.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -75.17 -19.25 59.94 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 119.771 -0.772 . . . . 0.0 111.474 -177.25 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.7 m -70.04 -33.89 72.56 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 178.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -82.1 -32.17 30.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.375 0.67 . . . . 0.0 110.294 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 tt -72.04 -36.9 69.77 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -63.41 -40.94 98.56 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 122.619 0.368 . . . . 0.0 110.176 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.5 tpp180 -67.13 -36.59 82.21 Favored 'General case' 0 C--N 1.339 0.133 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.2 mt -74.31 -35.33 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.62 -40.39 80.38 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.054 0.388 . . . . 0.0 111.876 -175.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.5 p -73.93 -35.32 42.05 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-N 118.293 0.497 . . . . 0.0 110.296 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -78.67 -16.71 56.97 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 119.469 -0.3 . . . . 0.0 110.992 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 51.0 m -83.44 -38.24 22.14 Favored 'General case' 0 C--O 1.228 -0.043 0 CA-C-N 118.514 0.597 . . . . 0.0 109.794 174.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.54 -30.85 63.33 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -79.28 -26.61 42.31 Favored 'General case' 0 N--CA 1.455 -0.184 0 O-C-N 122.145 -0.347 . . . . 0.0 110.957 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -74.33 -21.89 59.5 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -76.12 -26.69 56.61 Favored 'General case' 0 CA--C 1.53 0.196 0 O-C-N 121.976 -0.453 . . . . 0.0 110.627 176.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.5 mt -79.64 -19.7 48.5 Favored 'General case' 0 CA--C 1.527 0.094 0 O-C-N 121.792 -0.567 . . . . 0.0 112.155 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.6 m -98.74 -15.0 7.57 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.042 0 CA-C-N 117.909 0.322 . . . . 0.0 111.098 177.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.83 -23.11 45.28 Favored 'General case' 0 N--CA 1.455 -0.189 0 O-C-N 122.377 -0.202 . . . . 0.0 110.83 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -108.67 -10.64 15.17 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.333 0.653 . . . . 0.0 110.788 176.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.47 -18.62 65.94 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 111.616 -0.594 . . . . 0.0 111.616 177.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -154.21 143.24 21.15 Favored 'General case' 0 C--O 1.232 0.146 0 C-N-CA 123.849 0.86 . . . . 0.0 109.39 176.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -144.4 134.64 24.3 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 178.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 72.4 mt 51.74 22.26 1.62 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.567 0.747 . . . . 0.0 111.335 -176.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -149.73 135.87 18.88 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.016 0.926 . . . . 0.0 109.421 -175.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 91.1 mt 48.25 31.78 2.81 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.975 0.91 . . . . 0.0 112.939 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.1 t . . . . . 0 C--O 1.252 1.218 0 CA-C-O 117.42 -1.276 . . . . 0.0 110.141 179.654 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . 0.44 " H3'" H5'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.416 -2.717 1 O4'-C1'-N19 113.577 7.222 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.44 H5'' " H3'" ' B' ' 1' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.419 -2.451 0 O4'-C1'-N19 110.799 3.749 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.441 0 O4'-C1'-N19 109.911 2.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.482 0 O4'-C4'-C3' 108.999 3.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 0 O4'-C1'-N19 110.223 3.029 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.473 1 O4'-C1'-N19 111.637 4.797 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.367 1 O4'-C1'-N19 111.412 4.515 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtt . . . . . 0 N--CA 1.477 0.878 0 N-CA-C 110.486 -0.19 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -143.26 159.31 42.57 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 123.062 0.545 . . . . 0.0 110.355 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -138.0 161.41 36.79 Favored 'General case' 0 CA--C 1.526 0.047 0 C-N-CA 123.558 0.743 . . . . 0.0 110.145 -178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -84.23 1.44 44.61 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 122.95 0.5 . . . . 0.0 110.866 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.466 ' N ' HD12 ' A' ' 5' ' ' LEU . 7.1 mp -97.72 50.85 1.05 Allowed 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.003 0.921 . . . . 0.0 110.093 -175.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.6 p -63.08 170.71 2.64 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 123.39 0.676 . . . . 0.0 110.906 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -65.03 -15.09 61.94 Favored 'General case' 0 N--CA 1.452 -0.366 0 O-C-N 122.246 -0.284 . . . . 0.0 111.746 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -75.71 -44.88 39.81 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.789 -0.569 . . . . 0.0 110.74 -179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.8 p -82.46 -25.52 8.8 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.052 0 C-N-CA 122.235 0.214 . . . . 0.0 110.569 -179.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.4 tp -77.75 -29.07 50.85 Favored 'General case' 0 N--CA 1.449 -0.523 0 O-C-N 122.289 -0.257 . . . . 0.0 110.848 -178.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 37.5 t -77.45 -39.57 27.79 Favored 'Isoleucine or valine' 0 C--N 1.339 0.128 0 O-C-N 122.148 -0.345 . . . . 0.0 110.51 178.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -72.19 -22.59 61.25 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 118.882 0.765 . . . . 0.0 110.466 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -72.51 -31.56 65.44 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 122.298 -0.251 . . . . 0.0 110.605 178.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.6 t -73.51 -29.38 27.07 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 175.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -71.66 -15.3 62.22 Favored 'General case' 0 CA--C 1.531 0.228 0 O-C-N 121.946 -0.472 . . . . 0.0 110.901 176.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -88.03 6.96 33.57 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.451 0.7 . . . . 0.0 111.163 174.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.17 7.52 63.86 Favored Glycine 0 CA--C 1.529 0.944 0 CA-C-O 119.574 -0.57 . . . . 0.0 113.193 174.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -81.9 107.27 14.48 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 118.288 1.044 . . . . 0.0 110.154 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.8 tm0? -80.39 -25.56 39.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 O-C-N 122.502 -0.124 . . . . 0.0 110.857 -179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.632 ' HE3' ' HA ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -71.88 -32.4 67.41 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.009 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.18 -29.02 69.8 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 176.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -75.71 -31.39 59.64 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.371 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -65.07 -33.36 75.84 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.052 -0.405 . . . . 0.0 110.658 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -76.2 -27.13 56.74 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.5 tp -75.25 -30.72 60.59 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.475 0.31 . . . . 0.0 110.288 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.09 -49.46 67.59 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.147 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.8 t -67.77 -23.78 29.9 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.082 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 -177.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -69.69 -31.11 68.96 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.61 0.364 . . . . 0.0 111.375 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -114.73 -0.24 13.63 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -58.45 -38.44 77.53 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.651 0.659 . . . . 0.0 112.2 -173.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.1 p-80 -82.75 -23.89 33.76 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 117.966 0.348 . . . . 0.0 111.042 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HE2' ' CZ ' ' A' ' 71' ' ' TYR . 80.5 tttt -85.18 -34.01 22.17 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.342 0.257 . . . . 0.0 110.798 -176.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 p -79.69 -28.52 12.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 177.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.56 -26.51 64.52 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.9 t -76.33 -26.24 55.56 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 176.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.1 tp -82.8 -44.33 15.65 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 122.891 0.477 . . . . 0.0 112.025 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 m -79.01 -18.76 13.03 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.155 0 CA-C-N 118.959 0.799 . . . . 0.0 111.176 -177.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.2 t -61.97 -16.07 48.45 Favored 'General case' 0 CA--C 1.532 0.267 0 O-C-N 122.179 -0.325 . . . . 0.0 110.391 176.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -78.14 -11.86 59.95 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.352 0.661 . . . . 0.0 111.532 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -127.05 -13.42 5.7 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -175.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.3 m -138.13 154.67 74.27 Favored Pre-proline 0 N--CA 1.462 0.143 0 CA-C-N 118.826 0.739 . . . . 0.0 111.551 176.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.53 156.61 35.68 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.633 2.889 . . . . 0.0 111.018 173.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t -61.15 -20.31 62.55 Favored 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 122.172 0.189 . . . . 0.0 111.423 -178.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.65 -13.0 83.95 Favored Glycine 0 CA--C 1.529 0.913 0 CA-C-O 119.311 -0.716 . . . . 0.0 112.079 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -117.49 -5.23 11.23 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.292 1.046 . . . . 0.0 111.783 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.44 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 45.8 t -57.53 -51.02 84.81 Favored Pre-proline 0 CA--C 1.53 0.189 0 CA-C-O 118.426 -0.797 . . . . 0.0 112.193 178.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 60.1 Cg_endo -66.8 -23.69 47.78 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 121.481 1.454 . . . . 0.0 112.31 -173.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -87.17 -26.0 23.78 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 118.277 0.489 . . . . 0.0 111.122 178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 55.5 t -84.13 -27.53 7.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 24.5 t -73.76 -39.76 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 176.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -72.55 -32.16 65.85 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.112 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -70.61 -25.46 63.05 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.4 -28.9 52.85 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 122.136 -0.353 . . . . 0.0 111.113 178.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -84.62 -34.75 23.05 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 118.144 0.429 . . . . 0.0 111.239 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.34 -29.85 40.79 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 CA-C-N 118.829 0.74 . . . . 0.0 109.52 177.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -75.13 -31.4 61.08 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 176.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.93 -31.15 61.46 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 110.406 -0.22 . . . . 0.0 110.406 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.59 -38.66 91.78 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.156 0.434 . . . . 0.0 111.383 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -88.03 -10.25 50.87 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.03 -9.58 15.07 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.2 tt -72.49 -19.41 61.55 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 122.88 0.472 . . . . 0.0 110.483 -178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.24 -9.11 58.36 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 120.711 0.291 . . . . 0.0 110.399 174.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 50.2 m -114.65 7.47 16.0 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.99 0.916 . . . . 0.0 111.087 178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -68.0 130.83 44.16 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -99.22 -14.57 19.24 Favored 'General case' 0 C--O 1.231 0.086 0 N-CA-C 112.401 0.519 . . . . 0.0 112.401 -174.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.13 20.93 78.91 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -69.8 -7.72 42.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.057 0.543 . . . . 0.0 111.43 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 42.8 t -157.9 172.45 18.45 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.097 0.959 . . . . 0.0 109.377 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.35 154.47 13.53 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.006 0.523 . . . . 0.0 109.819 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -65.31 -31.65 72.9 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -173.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.405 ' CZ ' ' HE2' ' A' ' 32' ' ' LYS . 73.5 t80 -73.62 -25.81 60.49 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.628 0.649 . . . . 0.0 111.005 -179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.6 m -67.16 -34.34 77.34 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -81.65 -32.97 31.63 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.607 0.363 . . . . 0.0 110.459 178.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.1 -34.19 70.88 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -65.84 -40.39 91.72 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -67.22 -35.06 78.79 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 117.819 0.281 . . . . 0.0 110.674 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.433 HG12 ' C5 ' ' B' ' 3' ' ' ' DT' . 64.5 mt -73.56 -36.51 47.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.83 -41.26 75.21 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.12 0.418 . . . . 0.0 111.938 -174.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 7.8 p -74.29 -31.91 30.05 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 CA-C-N 118.124 0.42 . . . . 0.0 110.489 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -82.86 -16.77 46.31 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 119.418 -0.325 . . . . 0.0 111.329 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 52.3 m -84.29 -37.81 21.21 Favored 'General case' 0 CA--C 1.527 0.065 0 N-CA-C 109.201 -0.666 . . . . 0.0 109.201 173.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.41 -29.2 59.69 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -84.52 -34.29 23.33 Favored 'General case' 0 C--N 1.339 0.118 0 CA-C-N 117.98 0.355 . . . . 0.0 110.96 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -73.38 -18.49 61.16 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -70.07 -44.48 69.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.719 -0.613 . . . . 0.0 109.887 172.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.2 -23.89 66.9 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 112.012 0.375 . . . . 0.0 112.012 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.3 p -97.82 -16.11 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 O-C-N 122.196 -0.315 . . . . 0.0 111.125 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.48 -21.64 41.8 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 113.364 0.876 . . . . 0.0 113.364 -175.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.82 -8.65 10.28 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 119.28 0.946 . . . . 0.0 111.465 171.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.99 -25.18 50.21 Favored Glycine 0 CA--C 1.525 0.702 0 CA-C-O 119.266 -0.741 . . . . 0.0 112.012 177.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -153.84 17.6 0.51 Allowed 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -132.29 -17.48 2.66 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.478 0.581 . . . . 0.0 111.89 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.5 mt -137.93 24.1 2.82 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.716 0.806 . . . . 0.0 110.275 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -68.57 158.86 33.05 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.212 0.529 . . . . 0.0 111.22 -178.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 46.3 tp -145.6 -20.23 0.47 Allowed 'General case' 0 CA--C 1.535 0.373 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.726 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 C--O 1.252 1.209 0 CA-C-O 117.091 -1.433 . . . . 0.0 110.684 -179.588 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.264 1 O4'-C1'-N19 111.947 5.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.839 0 O4'-C1'-N19 110.574 3.468 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.433 ' C5 ' HG12 ' A' ' 77' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -2.825 0 O4'-C1'-N19 109.598 2.247 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.41 0 O4'-C4'-C3' 109.105 3.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.232 0 O4'-C1'-N19 109.887 2.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.557 1 O4'-C1'-N19 111.854 5.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.55 0 O4'-C1'-N19 110.123 2.903 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.477 0.915 0 N-CA-C 110.69 -0.115 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m 54.63 24.17 5.27 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.154 0.981 . . . . 0.0 113.095 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -96.61 -6.11 37.51 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 122.895 0.478 . . . . 0.0 110.926 -179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 58.3 170.0 0.05 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.04 1.336 . . . . 0.0 113.16 -176.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 5' ' ' LEU . 2.2 mm? -104.9 48.09 0.85 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.482 0.713 . . . . 0.0 110.695 -178.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.2 p -63.28 173.51 1.5 Allowed 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 122.974 0.51 . . . . 0.0 110.6 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -63.09 -14.83 53.17 Favored 'General case' 0 CA--C 1.528 0.113 0 O-C-N 121.804 -0.56 . . . . 0.0 111.307 -178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -67.31 -41.57 85.12 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 117.961 0.346 . . . . 0.0 110.446 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -83.88 -24.67 7.68 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 CA-C-N 118.081 0.401 . . . . 0.0 110.295 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 22.6 tp -75.75 -29.0 58.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -177.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.3 t -75.26 -35.13 32.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 175.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -71.35 -28.6 64.17 Favored 'General case' 0 N--CA 1.457 -0.087 0 CA-C-N 118.105 0.411 . . . . 0.0 110.53 176.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -72.84 -29.11 62.96 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.246 0.219 . . . . 0.0 110.867 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.3 t -77.07 -28.0 16.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 O-C-N 122.095 -0.378 . . . . 0.0 110.141 176.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -72.07 -15.81 62.02 Favored 'General case' 0 CA--C 1.529 0.163 0 O-C-N 122.082 -0.386 . . . . 0.0 110.394 175.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.2 mtpp -83.48 4.5 27.59 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 122.791 0.436 . . . . 0.0 111.115 172.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.1 9.57 67.38 Favored Glycine 0 CA--C 1.528 0.874 0 CA-C-O 119.589 -0.562 . . . . 0.0 113.075 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -78.07 114.45 16.96 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.301 1.051 . . . . 0.0 110.331 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 16.2 tp60 -80.13 -28.66 38.88 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.614 0.366 . . . . 0.0 111.031 -179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 7.8 mmpt? -75.72 -30.67 59.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -178.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.6 -30.14 70.82 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -76.23 -30.89 58.1 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.119 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -62.94 -35.59 80.63 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 117.817 0.28 . . . . 0.0 110.638 177.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.52 -30.46 64.5 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.8 tp -71.59 -30.37 65.75 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.02 -42.76 79.54 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.48 -23.87 34.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.142 0 CA-C-N 117.932 0.333 . . . . 0.0 110.97 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.99 -31.46 58.97 Favored 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 122.039 -0.413 . . . . 0.0 111.884 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -117.46 -0.02 12.04 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 -175.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -59.94 -31.1 69.54 Favored 'General case' 0 CA--C 1.528 0.12 0 CA-C-N 119.348 0.976 . . . . 0.0 113.24 -174.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -85.33 -27.56 25.82 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.31 0.505 . . . . 0.0 110.403 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.658 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 9.1 tmtt? -71.7 -46.01 60.09 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.373 0.669 . . . . 0.0 110.569 178.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.8 p -73.17 -31.39 34.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.186 -176.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.98 -29.43 68.46 Favored 'General case' 0 N--CA 1.452 -0.335 0 O-C-N 122.074 -0.391 . . . . 0.0 110.819 179.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.6 m -80.12 -22.06 42.54 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.21 0.204 . . . . 0.0 110.696 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -84.11 -40.86 17.75 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 122.608 0.363 . . . . 0.0 111.572 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.1 m -80.87 -21.2 11.19 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.077 0 CA-C-N 118.568 0.622 . . . . 0.0 111.173 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 39.1 t -61.06 -15.87 37.32 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.682 0.277 . . . . 0.0 110.63 176.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -79.23 -11.48 59.96 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.335 0.654 . . . . 0.0 111.506 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -127.08 -15.43 5.29 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 -175.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.8 m -136.42 154.36 76.89 Favored Pre-proline 0 N--CA 1.463 0.216 0 CA-C-N 118.346 0.521 . . . . 0.0 110.584 176.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -70.08 162.02 43.79 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.427 2.751 . . . . 0.0 110.097 176.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 85.0 p -60.34 -18.2 48.31 Favored 'General case' 0 C--O 1.231 0.1 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -175.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.91 -15.09 81.59 Favored Glycine 0 CA--C 1.53 0.976 0 CA-C-O 119.485 -0.619 . . . . 0.0 112.436 178.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -118.56 -5.84 10.72 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 117.981 0.891 . . . . 0.0 112.149 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.43 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 54.8 t -56.59 -50.92 85.07 Favored Pre-proline 0 C--O 1.226 -0.176 0 CA-C-O 118.343 -0.837 . . . . 0.0 112.186 -179.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 66.0 Cg_endo -68.14 -22.93 40.21 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 121.444 1.429 . . . . 0.0 112.379 -174.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -87.0 -25.83 24.06 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 118.11 0.414 . . . . 0.0 111.038 178.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.9 t -84.53 -27.02 6.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 176.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.4 t -73.93 -39.74 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 177.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -72.45 -31.86 65.79 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.645 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -72.23 -24.71 61.42 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 122.224 -0.297 . . . . 0.0 110.391 176.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.01 -32.77 61.7 Favored 'General case' 0 N--CA 1.457 -0.121 0 O-C-N 122.273 -0.267 . . . . 0.0 110.746 179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -84.59 -35.86 22.47 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 117.772 0.26 . . . . 0.0 111.235 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -69.72 -29.52 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 CA-C-N 118.937 0.789 . . . . 0.0 109.765 177.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -74.66 -31.63 61.99 Favored 'General case' 0 C--N 1.339 0.14 0 CA-C-N 118.272 0.487 . . . . 0.0 109.993 176.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.02 -33.11 63.65 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 176.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -63.3 -37.87 88.96 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 118.068 0.394 . . . . 0.0 111.403 -177.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -87.7 -12.01 46.6 Favored 'General case' 0 CA--C 1.527 0.059 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.14 -7.53 16.02 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 179.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 tt -75.13 -21.7 58.67 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.604 0.762 . . . . 0.0 110.385 -178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.55 -8.85 57.63 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 174.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 47.0 m -114.71 12.36 17.08 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.989 0.915 . . . . 0.0 110.956 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -66.66 132.25 47.73 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 65.2 mtt85 -99.53 -18.68 17.27 Favored 'General case' 0 C--N 1.337 0.054 0 C-N-CA 123.035 0.534 . . . . 0.0 112.118 -174.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.89 20.15 79.59 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.709 -0.556 . . . . 0.0 111.709 178.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 54.6 m-20 -68.56 -10.26 54.64 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 117.272 0.536 . . . . 0.0 111.17 179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.1 t -154.91 172.47 17.99 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.37 1.068 . . . . 0.0 108.754 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.52 152.85 17.29 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 176.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.24 -31.42 72.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -174.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.658 ' CZ ' ' HE3' ' A' ' 32' ' ' LYS . 69.6 t80 -71.16 -28.56 64.34 Favored 'General case' 0 N--CA 1.457 -0.116 0 CA-C-N 118.091 0.405 . . . . 0.0 110.991 -178.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.9 m -66.96 -34.36 77.6 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 79.0 t90 -82.41 -31.8 29.41 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.661 0.784 . . . . 0.0 111.025 178.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.08 -38.35 72.43 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -67.32 -39.33 85.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -65.78 -35.42 80.65 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.512 0.725 . . . . 0.0 111.39 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.4 mt -75.98 -34.5 27.33 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.114 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 178.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.54 -40.78 85.03 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 118.046 0.384 . . . . 0.0 111.938 -175.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.8 p -74.02 -31.95 31.73 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.043 0 CA-C-N 117.889 0.313 . . . . 0.0 110.502 179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -82.89 -17.88 42.22 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 119.46 -0.305 . . . . 0.0 111.722 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.4 m -82.31 -39.24 23.15 Favored 'General case' 0 CA--C 1.522 -0.13 0 CA-C-N 118.542 0.61 . . . . 0.0 109.895 176.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.58 -27.41 62.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 122.249 -0.282 . . . . 0.0 110.873 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -84.12 -31.14 25.4 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 122.288 -0.257 . . . . 0.0 110.677 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 -72.81 -22.03 60.88 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -73.92 -32.41 63.52 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.057 -0.402 . . . . 0.0 110.713 175.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.9 mt -68.37 -23.37 64.66 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.013 -0.429 . . . . 0.0 111.505 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.2 m -101.78 -14.82 7.97 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.109 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 178.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.28 -26.94 60.5 Favored 'General case' 0 CA--C 1.528 0.106 0 CA-C-N 118.263 0.483 . . . . 0.0 111.88 -178.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -118.56 -8.55 10.43 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 122.539 0.336 . . . . 0.0 110.963 174.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -88.03 -6.85 74.81 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 176.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -131.76 -167.49 1.88 Allowed 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.795 0.838 . . . . 0.0 110.912 179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 65.2 139.36 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 125.75 1.62 . . . . 0.0 110.794 -172.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 51.47 36.57 17.1 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.224 0.61 . . . . 0.0 110.362 -172.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -72.21 160.33 32.61 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-O 121.035 0.445 . . . . 0.0 110.991 -179.319 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.9 tp 53.49 26.05 5.23 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.157 0.983 . . . . 0.0 112.615 178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.971 179.417 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.587 1 O4'-C1'-N19 112.272 5.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.432 1 O4'-C1'-N19 111.332 4.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.555 0 O4'-C1'-N19 110.283 3.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.584 0 O4'-C4'-C3' 108.899 3.299 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.013 0 O4'-C1'-N19 110.155 2.944 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.43 1 O4'-C1'-N19 111.797 4.996 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.521 0 C5'-C4'-C3' 109.199 -3.667 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.3 tpt . . . . . 0 N--CA 1.475 0.806 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -140.64 8.5 2.16 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 56.37 -174.98 0.06 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.078 0.951 . . . . 0.0 112.471 -177.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 54.42 59.44 4.16 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.879 0.872 . . . . 0.0 111.791 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mp -79.8 38.66 0.4 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.45 1.1 . . . . 0.0 110.32 178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 73.3 p -69.97 175.9 4.11 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.561 0.745 . . . . 0.0 110.926 -178.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.01 -14.86 57.32 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 122.493 0.317 . . . . 0.0 111.3 -178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -71.53 -45.46 62.31 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.975 -0.453 . . . . 0.0 110.623 -177.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -83.8 -26.08 7.52 Favored 'Isoleucine or valine' 0 C--N 1.339 0.111 0 CA-C-N 117.935 0.334 . . . . 0.0 110.729 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.8 tp -71.85 -27.16 62.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.6 t -78.24 -36.95 21.61 Favored 'Isoleucine or valine' 0 C--O 1.231 0.103 0 O-C-N 122.09 -0.381 . . . . 0.0 110.152 175.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -67.8 -29.98 69.29 Favored 'General case' 0 C--N 1.339 0.117 0 CA-C-N 118.505 0.593 . . . . 0.0 110.197 176.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.4 ttm-85 -71.54 -32.31 68.0 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.112 0.165 . . . . 0.0 110.735 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.5 t -73.88 -28.05 23.52 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.128 0 CA-C-N 117.987 0.358 . . . . 0.0 110.206 176.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -72.65 -15.47 61.71 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 118.019 0.372 . . . . 0.0 110.698 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -86.03 5.46 33.37 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 122.804 0.442 . . . . 0.0 111.248 173.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.08 8.29 69.1 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-O 119.618 -0.546 . . . . 0.0 112.868 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -77.54 103.77 7.67 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 117.948 0.874 . . . . 0.0 109.632 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.3 tm0? -79.83 -25.74 40.69 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 120.513 0.197 . . . . 0.0 110.641 -178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.635 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 8.1 mmpt? -72.16 -30.8 65.36 Favored 'General case' 0 CA--C 1.52 -0.184 0 O-C-N 121.92 -0.487 . . . . 0.0 109.73 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.79 -29.0 67.27 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 176.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -73.21 -30.87 63.81 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 176.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -64.66 -36.37 84.03 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.869 -0.519 . . . . 0.0 110.214 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.59 -26.74 62.73 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 176.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.4 tp -77.31 -28.86 53.39 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.6 t -73.53 -44.57 53.48 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.136 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 175.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.89 -23.56 33.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.111 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -73.84 -35.35 64.79 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -114.78 0.11 13.71 Favored 'General case' 0 C--O 1.227 -0.104 0 N-CA-C 114.541 1.311 . . . . 0.0 114.541 -176.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -60.08 -30.33 69.16 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.384 0.993 . . . . 0.0 112.918 -174.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 38.8 m80 -84.27 -28.11 27.41 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 118.375 0.534 . . . . 0.0 110.687 179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.67 ' HE3' ' CZ ' ' A' ' 71' ' ' TYR . 8.6 tmtt? -72.33 -45.94 57.72 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.446 0.699 . . . . 0.0 110.608 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.4 p -73.27 -31.57 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.255 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.03 -27.29 66.41 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 117.982 0.355 . . . . 0.0 110.343 178.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.4 m -81.49 -20.98 39.0 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 122.932 0.493 . . . . 0.0 110.875 176.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -85.74 -41.7 14.88 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 119.342 -0.361 . . . . 0.0 111.29 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.8 m -80.82 -23.23 10.96 Favored 'Isoleucine or valine' 0 C--N 1.339 0.119 0 CA-C-N 118.529 0.604 . . . . 0.0 111.309 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 98.0 p -62.87 -15.7 55.81 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 118.129 0.422 . . . . 0.0 111.074 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -77.17 -10.3 59.32 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.082 0.553 . . . . 0.0 111.296 177.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.439 ' CE2' HG23 ' A' ' 79' ' ' VAL . 40.9 m-85 -126.61 -19.51 4.55 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -176.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.1 m -131.41 153.3 81.57 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-N 118.454 0.57 . . . . 0.0 110.517 176.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -69.49 161.14 47.07 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.447 2.765 . . . . 0.0 109.843 177.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 80.4 p -60.16 -18.1 45.42 Favored 'General case' 0 C--N 1.334 -0.084 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -175.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.51 -15.2 81.37 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 119.289 -0.728 . . . . 0.0 112.319 178.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -118.65 -5.84 10.68 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-N 118.22 1.01 . . . . 0.0 112.445 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.434 ' N ' ' HD2' ' A' ' 47' ' ' PRO . 55.3 t -57.52 -49.91 91.13 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-O 118.385 -0.817 . . . . 0.0 112.313 -179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 46' ' ' VAL . 65.9 Cg_endo -67.88 -22.11 43.03 Favored 'Trans proline' 0 N--CA 1.455 -0.752 0 C-N-CA 121.458 1.439 . . . . 0.0 112.015 -174.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -85.42 -31.29 22.95 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 118.18 0.445 . . . . 0.0 110.864 178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 63.9 t -81.24 -28.95 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.8 t -72.4 -38.48 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 176.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -73.27 -26.8 61.24 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.44 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -80.4 -23.73 40.19 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 122.077 -0.389 . . . . 0.0 110.429 176.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.65 -33.59 62.55 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 122.24 -0.288 . . . . 0.0 111.418 -178.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -83.12 -34.57 26.05 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 118.318 0.508 . . . . 0.0 111.068 178.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.4 mp -72.19 -28.95 30.57 Favored 'Isoleucine or valine' 0 C--O 1.231 0.128 0 CA-C-N 118.585 0.629 . . . . 0.0 109.792 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -74.4 -31.5 62.36 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.174 0.443 . . . . 0.0 110.03 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -74.28 -32.91 63.1 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 176.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 92.0 t80 -63.76 -36.77 84.95 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 117.925 0.33 . . . . 0.0 111.566 -178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -90.42 -9.32 47.96 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 112.659 0.615 . . . . 0.0 112.659 -179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.22 -7.96 15.19 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 177.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 tt -73.7 -19.85 60.7 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 123.071 0.548 . . . . 0.0 110.683 -179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -72.68 -8.62 56.25 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.341 0.256 . . . . 0.0 110.324 174.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 48.4 m -114.6 9.23 16.52 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.872 0.869 . . . . 0.0 111.127 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -67.97 129.74 40.82 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 178.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.3 mtm-85 -99.47 -14.76 18.95 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -174.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.22 21.08 76.49 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -67.8 -10.27 51.38 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.245 0.618 . . . . 0.0 110.999 179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 41.5 t -156.91 172.86 17.92 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.437 1.095 . . . . 0.0 108.886 178.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.48 152.77 20.95 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 176.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -64.5 -31.76 73.11 Favored 'General case' 0 N--CA 1.456 -0.146 0 O-C-N 121.951 -0.468 . . . . 0.0 111.962 -174.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.67 ' CZ ' ' HE3' ' A' ' 32' ' ' LYS . 63.1 t80 -70.1 -29.67 66.69 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 118.3 0.5 . . . . 0.0 110.732 -178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.428 HG23 ' H62' ' B' ' 7' ' ' ' DA' . 20.6 m -65.76 -34.74 78.88 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -82.12 -32.33 30.21 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.003 0.521 . . . . 0.0 110.791 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.24 -34.16 72.52 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 178.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -66.68 -40.92 88.78 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 122.544 0.337 . . . . 0.0 110.17 -179.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 72.0 mmt-85 -64.79 -38.54 91.31 Favored 'General case' 0 C--N 1.34 0.152 0 C-N-CA 122.301 0.24 . . . . 0.0 111.425 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 48.5 mt -70.66 -36.93 67.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-N 118.081 0.4 . . . . 0.0 110.287 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.15 -38.81 69.11 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -175.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.439 HG23 ' CE2' ' A' ' 40' ' ' TYR . 14.7 p -77.37 -26.35 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.524 -0.052 0 CA-C-N 118.302 0.501 . . . . 0.0 110.736 -179.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 41.2 t-20 -82.89 -29.23 29.43 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.0 m -71.44 -39.88 70.72 Favored 'General case' 0 C--N 1.34 0.178 0 O-C-N 121.757 -0.589 . . . . 0.0 110.216 177.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.06 -28.11 61.24 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 122.302 -0.249 . . . . 0.0 111.548 179.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -83.91 -31.46 25.64 Favored 'General case' 0 C--O 1.232 0.146 0 O-C-N 122.06 -0.4 . . . . 0.0 110.754 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -71.57 -22.84 61.69 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 175.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -73.83 -28.55 61.67 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.05 -0.406 . . . . 0.0 110.603 176.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.5 mt -75.63 -22.06 57.16 Favored 'General case' 0 C--O 1.231 0.105 0 O-C-N 121.64 -0.663 . . . . 0.0 112.424 179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.8 m -94.74 -15.39 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 CA-C-N 118.394 0.543 . . . . 0.0 111.28 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.74 -26.02 49.63 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 122.294 -0.254 . . . . 0.0 111.033 177.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -108.22 -11.79 15.19 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.3 0.64 . . . . 0.0 110.614 176.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -85.43 -9.96 78.14 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.721 -0.552 . . . . 0.0 111.721 177.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.0 mmm180 -124.91 169.24 12.26 Favored 'General case' 0 C--O 1.232 0.158 0 C-N-CA 123.986 0.914 . . . . 0.0 109.601 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 57.58 12.2 1.48 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.604 1.162 . . . . 0.0 113.07 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 79.6 mt -138.13 26.32 2.68 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.622 0.769 . . . . 0.0 110.659 -174.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -91.1 155.87 18.33 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 122.922 0.489 . . . . 0.0 110.841 178.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 55.62 19.27 3.2 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.816 1.246 . . . . 0.0 113.371 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.035 -1.46 . . . . 0.0 110.883 176.924 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.821 1 O4'-C1'-N19 112.821 6.277 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.963 0 O4'-C1'-N19 110.656 3.57 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.363 0 C5'-C4'-C3' 110.435 -2.843 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.54 0 O4'-C4'-C3' 109.234 3.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.034 0 O4'-C1'-N19 110.228 3.035 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.465 1 O4'-C1'-N19 112.421 5.776 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.428 ' H62' HG23 ' A' ' 72' ' ' THR . . . . . . . . 0 C5'--C4' 1.531 2.465 0 C5'-C4'-C3' 109.129 -3.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_