data_1bzb_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 1bzb _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.2 m -60.85 -47.11 87.86 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.782 0.833 . . . . 0.0 109.104 168.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.7 t -64.44 -52.44 58.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.271 1.029 . . . . 0.0 111.742 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 p -62.4 -42.1 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 118.532 0.605 . . . . 0.0 111.488 -174.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.87 -37.74 85.66 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.238 0.615 . . . . 0.0 110.966 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.67 -46.77 93.45 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.677 0.655 . . . . 0.0 111.916 175.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -69.08 -38.78 79.2 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.192 0.997 . . . . 0.0 111.643 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 mt -64.04 -42.91 96.9 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.648 0.779 . . . . 0.0 110.594 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.2 t -62.62 -44.32 96.6 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.25 0.62 . . . . 0.0 110.694 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -63.1 -44.54 95.42 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.89 0.876 . . . . 0.0 111.203 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -54.31 -50.91 66.25 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.426 1.09 . . . . 0.0 110.249 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.4 mt -59.24 -43.91 92.38 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.847 0.859 . . . . 0.0 111.502 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -55.84 -51.96 65.69 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.449 0.568 . . . . 0.0 110.724 177.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.82 -56.02 27.62 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.155 0.982 . . . . 0.0 112.004 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -176.076 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.456 -0.167 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 83.2 m -64.17 -37.58 87.99 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.514 0.726 . . . . 0.0 110.394 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.4 p -64.87 -38.52 91.24 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.429 0.692 . . . . 0.0 111.252 175.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.71 -53.41 35.26 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 123.843 0.857 . . . . 0.0 109.544 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.23 -46.3 86.16 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.718 1.207 . . . . 0.0 111.029 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.92 -46.15 95.13 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 123.7 0.667 . . . . 0.0 111.783 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -62.89 -52.63 62.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.476 1.11 . . . . 0.0 111.452 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.22 -35.14 78.96 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.061 0.391 . . . . 0.0 111.714 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -63.11 -47.28 83.5 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.861 0.464 . . . . 0.0 110.471 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -60.92 -46.36 90.98 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.073 0.949 . . . . 0.0 110.745 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -57.29 -51.15 70.54 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.309 1.044 . . . . 0.0 110.953 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.59 -40.81 93.15 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.868 0.867 . . . . 0.0 111.271 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -66.92 -31.32 71.83 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.382 0.673 . . . . 0.0 112.181 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -71.2 -60.6 2.14 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 123.296 0.638 . . . . 0.0 110.304 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 119.195 -0.431 . . . . 0.0 111.061 -176.48 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 p . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 t -63.77 -30.63 71.71 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.725 0.81 . . . . 0.0 111.205 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -59.29 -52.7 64.52 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.143 0.977 . . . . 0.0 110.503 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.9 -49.91 77.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 123.65 0.78 . . . . 0.0 110.689 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.37 -44.85 84.76 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.435 0.694 . . . . 0.0 111.027 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.06 -43.54 99.01 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.308 0.956 . . . . 0.0 111.974 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -62.83 -49.91 73.06 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.245 1.018 . . . . 0.0 110.646 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.8 mt -58.77 -48.81 79.93 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.841 0.856 . . . . 0.0 110.585 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.9 t -56.77 -43.53 80.92 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.764 0.826 . . . . 0.0 111.532 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -62.83 -47.92 81.32 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.152 0.981 . . . . 0.0 111.01 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.15 -47.81 84.48 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.997 0.919 . . . . 0.0 111.188 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.29 -46.12 90.94 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.909 0.883 . . . . 0.0 110.771 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -64.01 -38.41 90.98 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.121 0.568 . . . . 0.0 111.717 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.32 -59.23 5.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.704 0.802 . . . . 0.0 110.138 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 CA--C 1.532 0.25 0 CA-C-O 119.266 -0.397 . . . . 0.0 111.848 -178.861 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.3 p -60.43 -41.88 94.93 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.363 0.665 . . . . 0.0 110.047 170.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -67.93 -41.95 81.77 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.399 1.08 . . . . 0.0 111.096 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.88 -57.19 12.24 Favored 'Isoleucine or valine' 0 C--N 1.34 0.186 0 C-N-CA 124.164 0.986 . . . . 0.0 109.792 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -57.79 -40.24 79.38 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.774 0.829 . . . . 0.0 111.132 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.71 -49.08 82.47 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.173 0.892 . . . . 0.0 111.668 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -63.32 -45.57 90.7 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.119 0.968 . . . . 0.0 111.211 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.5 -52.85 63.43 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.397 0.679 . . . . 0.0 110.434 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 t -56.13 -46.73 79.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.036 0.934 . . . . 0.0 111.377 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -57.98 -50.29 73.91 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.667 1.187 . . . . 0.0 110.899 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -65.17 -47.97 75.14 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.666 0.786 . . . . 0.0 111.137 -175.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 mt -58.29 -43.27 87.98 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.32 1.048 . . . . 0.0 110.872 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -66.29 -39.21 89.23 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.746 0.419 . . . . 0.0 111.44 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -64.74 -49.91 68.97 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.518 0.727 . . . . 0.0 111.1 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.533 0.311 0 C-N-CA 122.644 0.378 . . . . 0.0 111.895 178.515 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.2 p -60.13 -32.62 71.18 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.088 0.555 . . . . 0.0 110.471 170.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.1 m -65.0 -54.43 30.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.437 1.095 . . . . 0.0 110.372 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 p -70.09 -41.87 79.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.718 0.807 . . . . 0.0 111.324 -175.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.78 -44.69 96.47 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.478 0.711 . . . . 0.0 110.438 174.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.27 -46.39 93.92 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.764 0.697 . . . . 0.0 111.458 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -62.36 -57.13 12.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.805 0.842 . . . . 0.0 111.581 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.14 -36.4 79.65 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.233 0.469 . . . . 0.0 111.616 -177.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.1 t -63.18 -44.24 95.95 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.615 0.766 . . . . 0.0 111.076 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -65.87 -39.5 90.77 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.81 0.844 . . . . 0.0 111.241 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -72.36 -46.28 56.1 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.911 0.885 . . . . 0.0 111.387 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.29 -31.88 72.95 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 118.342 0.519 . . . . 0.0 111.275 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -63.34 -50.59 69.37 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 122.958 0.503 . . . . 0.0 110.221 171.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -52.73 -58.66 6.12 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.883 0.873 . . . . 0.0 110.912 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -175.88 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 CA--C 1.529 0.147 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 t -64.39 -34.69 78.76 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.026 0.53 . . . . 0.0 110.78 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.3 t -66.47 -43.37 85.63 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.734 1.214 . . . . 0.0 110.656 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.8 t -64.28 -51.53 67.26 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 C-N-CA 124.146 0.978 . . . . 0.0 109.815 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.7 mt -56.9 -39.36 74.29 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.755 0.822 . . . . 0.0 111.051 176.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.87 -46.15 95.1 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 124.145 0.879 . . . . 0.0 111.694 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -41.84 91.32 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.992 0.917 . . . . 0.0 111.228 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.41 -46.78 84.81 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.341 0.657 . . . . 0.0 110.529 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.3 t -58.85 -39.45 81.37 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.317 1.047 . . . . 0.0 111.407 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -67.62 -44.64 77.51 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.489 0.716 . . . . 0.0 110.402 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -63.63 -50.56 68.86 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.893 0.877 . . . . 0.0 111.565 -175.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.11 -29.07 70.07 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.187 -0.435 . . . . 0.0 111.604 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -72.78 -42.81 63.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.988 -0.529 . . . . 0.0 111.432 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -57.88 -51.16 70.74 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 123.159 0.584 . . . . 0.0 111.008 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.491 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.0 p -68.34 -39.13 81.99 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.075 0.95 . . . . 0.0 110.47 171.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -63.36 -53.98 44.04 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.156 0.982 . . . . 0.0 110.985 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.2 p -65.0 -37.7 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 123.432 0.693 . . . . 0.0 111.246 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.0 -46.62 90.03 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.787 0.835 . . . . 0.0 110.283 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.8 97.88 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 123.604 0.621 . . . . 0.0 111.908 175.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -62.8 -55.43 26.46 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.059 0.943 . . . . 0.0 111.091 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.55 -35.85 81.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 119.461 -0.304 . . . . 0.0 111.557 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.5 t -61.02 -49.94 75.39 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 122.959 0.504 . . . . 0.0 110.228 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -59.59 -42.98 93.76 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.166 0.986 . . . . 0.0 111.157 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -64.22 -51.71 62.34 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.536 0.734 . . . . 0.0 111.159 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.97 -36.22 83.7 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.254 0.622 . . . . 0.0 111.325 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -63.79 -43.69 95.59 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.271 0.628 . . . . 0.0 111.079 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -62.29 -48.43 79.9 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.5 1.12 . . . . 0.0 110.429 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 CA--C 1.532 0.288 0 C-N-CA 124.028 0.931 . . . . 0.0 109.568 179.047 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 C--O 1.228 -0.07 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -39.71 -50.44 2.32 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 128.265 2.626 . . . . 0.0 113.226 172.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.8 m -111.35 -7.25 14.4 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.058 1.743 . . . . 0.0 110.947 -168.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.8 t -68.64 -52.24 37.86 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 162.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.0 -41.0 74.18 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.922 1.289 . . . . 0.0 110.622 170.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.47 -50.37 60.44 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.574 0.606 . . . . 0.0 111.712 174.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -52.87 63.39 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.847 0.859 . . . . 0.0 109.717 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 mt -54.29 -38.05 65.45 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.482 1.113 . . . . 0.0 111.966 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 t -58.71 -44.15 90.29 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.857 0.463 . . . . 0.0 110.948 176.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -63.94 -35.48 80.81 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 118.964 -0.541 . . . . 0.0 112.005 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.46 -45.35 87.8 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 118.623 0.647 . . . . 0.0 110.568 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.1 mt -59.98 -42.55 94.41 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.548 0.739 . . . . 0.0 110.906 176.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -62.37 -44.77 95.68 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.015 0.526 . . . . 0.0 110.965 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -60.1 -52.67 64.35 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.65 1.18 . . . . 0.0 111.177 -175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.806 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.7 m -75.42 -35.49 60.98 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.192 0.597 . . . . 0.0 110.088 175.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -57.4 -51.66 68.51 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.03 0.532 . . . . 0.0 110.053 170.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.72 -47.61 92.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 124.026 0.931 . . . . 0.0 110.672 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.1 tp -55.84 -43.57 77.16 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.84 0.856 . . . . 0.0 110.59 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.66 -37.65 95.05 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.884 0.754 . . . . 0.0 112.53 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -65.13 0.73 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.843 0.857 . . . . 0.0 111.424 -171.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -27.9 67.31 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.8 t -61.11 -43.94 98.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.914 0.779 . . . . 0.0 110.731 172.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -62.33 -47.51 83.95 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.297 0.639 . . . . 0.0 110.545 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -55.08 -52.12 64.23 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.077 0.551 . . . . 0.0 110.856 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.6 mt -57.85 -41.28 82.07 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.102 0.961 . . . . 0.0 111.591 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -66.67 -33.55 75.91 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.598 0.759 . . . . 0.0 112.27 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -75.14 -57.62 3.78 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.293 0.637 . . . . 0.0 110.381 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 118.727 -0.654 . . . . 0.0 111.556 -176.591 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.5 p -63.25 -44.04 96.33 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 169.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.5 t -68.67 -45.84 70.66 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.438 1.095 . . . . 0.0 111.738 -174.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.63 -44.19 86.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 122.585 0.354 . . . . 0.0 111.027 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.21 -43.88 97.83 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.43 0.692 . . . . 0.0 110.454 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.36 -45.61 94.06 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 123.8 0.714 . . . . 0.0 111.693 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -62.52 -55.73 24.65 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.185 0.994 . . . . 0.0 110.964 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.4 -34.7 78.54 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 119.271 -0.395 . . . . 0.0 111.779 -176.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -62.58 -50.92 69.38 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 122.9 0.48 . . . . 0.0 110.365 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -56.72 -48.84 76.85 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.653 1.181 . . . . 0.0 110.826 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.45 -53.53 56.5 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.539 1.136 . . . . 0.0 110.998 -176.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.7 -40.0 90.6 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.961 0.905 . . . . 0.0 111.309 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -66.97 -34.09 76.99 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.268 0.627 . . . . 0.0 111.856 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -68.64 -58.24 4.55 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.431 0.692 . . . . 0.0 110.368 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 CA--C 1.532 0.286 0 CA-C-O 119.106 -0.473 . . . . 0.0 111.078 -178.838 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 53.9 m . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -69.4 -34.39 74.42 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.126 0.97 . . . . 0.0 110.633 169.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -55.17 -70.95 0.09 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.03 1.332 . . . . 0.0 111.854 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.8 mt 51.94 42.11 30.02 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.494 1.118 . . . . 0.0 110.131 -165.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t -158.68 -72.99 0.08 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.073 1.349 . . . . 0.0 107.64 -173.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.2 m -60.85 -47.11 87.86 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.782 0.833 . . . . 0.0 109.104 168.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.7 t -64.44 -52.44 58.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.271 1.029 . . . . 0.0 111.742 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 p -62.4 -42.1 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 118.532 0.605 . . . . 0.0 111.488 -174.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.87 -37.74 85.66 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.238 0.615 . . . . 0.0 110.966 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.67 -46.77 93.45 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.677 0.655 . . . . 0.0 111.916 175.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -69.08 -38.78 79.2 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.192 0.997 . . . . 0.0 111.643 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 mt -64.04 -42.91 96.9 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.648 0.779 . . . . 0.0 110.594 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.2 t -62.62 -44.32 96.6 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.25 0.62 . . . . 0.0 110.694 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -63.1 -44.54 95.42 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.89 0.876 . . . . 0.0 111.203 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -54.31 -50.91 66.25 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.426 1.09 . . . . 0.0 110.249 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.4 mt -59.24 -43.91 92.38 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.847 0.859 . . . . 0.0 111.502 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -55.84 -51.96 65.69 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.449 0.568 . . . . 0.0 110.724 177.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.82 -56.02 27.62 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.155 0.982 . . . . 0.0 112.004 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.92 -23.82 66.02 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -176.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -78.65 -49.33 13.37 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.053 0.541 . . . . 0.0 110.577 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.2 m -58.01 -50.7 72.51 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.179 0.991 . . . . 0.0 110.79 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -126.67 139.39 34.7 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 125.167 1.387 . . . . 0.0 108.458 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -46.82 -60.28 0.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 124.308 3.339 . . . . 0.0 113.06 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -160.55 103.37 1.38 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.036 0.934 . . . . 0.0 108.988 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.8 m -148.93 68.5 1.06 Allowed 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 64.3 67.94 0.57 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.296 1.438 . . . . 0.0 110.711 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.0 t -69.34 142.35 16.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 171.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.58 -77.36 0.29 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -176.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 52.98 40.29 30.86 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.047 1.339 . . . . 0.0 113.022 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.99 57.64 4.32 Favored Glycine 0 C--N 1.34 0.778 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.2 p -128.7 74.13 80.66 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 125.015 1.326 . . . . 0.0 109.495 -169.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.22 -44.13 1.92 Allowed 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 123.218 2.612 . . . . 0.0 111.282 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.016 0 O-C-N 122.156 -0.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 92.9 m . . . . . 0 N--CA 1.473 0.703 0 CA-C-O 120.629 0.252 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 m -88.8 45.89 1.33 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.111 0.964 . . . . 0.0 109.451 172.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -179.19 -46.08 0.01 OUTLIER 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.637 1.175 . . . . 0.0 111.325 -171.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.5 mt 58.31 48.07 13.05 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.801 1.24 . . . . 0.0 110.019 -170.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t -162.49 -63.33 0.05 OUTLIER 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.902 0.881 . . . . 0.0 109.311 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 83.2 m -64.17 -37.58 87.99 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.514 0.726 . . . . 0.0 110.394 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.4 p -64.87 -38.52 91.24 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.429 0.692 . . . . 0.0 111.252 175.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.71 -53.41 35.26 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 123.843 0.857 . . . . 0.0 109.544 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.23 -46.3 86.16 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.718 1.207 . . . . 0.0 111.029 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.92 -46.15 95.13 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 123.7 0.667 . . . . 0.0 111.783 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -62.89 -52.63 62.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.476 1.11 . . . . 0.0 111.452 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.22 -35.14 78.96 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.061 0.391 . . . . 0.0 111.714 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -63.11 -47.28 83.5 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.861 0.464 . . . . 0.0 110.471 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -60.92 -46.36 90.98 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.073 0.949 . . . . 0.0 110.745 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -57.29 -51.15 70.54 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.309 1.044 . . . . 0.0 110.953 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.59 -40.81 93.15 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.868 0.867 . . . . 0.0 111.271 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -66.92 -31.32 71.83 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.382 0.673 . . . . 0.0 112.181 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -71.2 -60.6 2.14 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 123.296 0.638 . . . . 0.0 110.304 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.42 -52.25 48.53 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 119.195 -0.431 . . . . 0.0 111.061 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 53.37 -84.57 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 127.562 2.345 . . . . 0.0 114.08 168.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.8 p -86.0 -0.77 56.34 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.137 1.375 . . . . 0.0 112.477 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -57.38 -40.29 83.44 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 124.301 1.04 . . . . 0.0 113.609 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -64.95 -174.79 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.268 2.645 . . . . 0.0 112.664 174.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.825 HH12 ' CZ ' ' A' ' 24' ' ' ARG . 75.0 mmt-85 67.71 10.8 8.02 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.66 1.584 . . . . 0.0 112.432 -175.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.1 t -161.67 -51.4 0.04 OUTLIER 'General case' 0 C--N 1.343 0.284 0 C-N-CA 124.166 0.987 . . . . 0.0 110.323 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -82.01 -68.06 0.73 Allowed 'General case' 0 C--N 1.341 0.233 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.2 t -77.33 -44.07 30.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 123.897 0.879 . . . . 0.0 109.409 177.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.11 -88.72 1.48 Allowed Glycine 0 C--N 1.339 0.737 0 N-CA-C 108.506 -1.838 . . . . 0.0 108.506 -173.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.79 -66.73 0.28 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 126.699 2.0 . . . . 0.0 112.389 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.87 49.71 57.32 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -174.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.9 m -140.13 89.12 11.22 Favored Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 124.71 1.204 . . . . 0.0 108.228 -174.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -54.55 -49.48 16.68 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 124.204 3.269 . . . . 0.0 112.713 178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.046 0 O-C-N 122.408 -0.183 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.2 t . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 120.914 0.388 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 m -68.53 -58.89 3.62 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 123.568 0.747 . . . . 0.0 109.096 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -78.05 176.67 8.96 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.216 1.406 . . . . 0.0 109.959 168.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.02 47.79 2.43 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.761 1.225 . . . . 0.0 109.608 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 p -114.9 -82.81 0.61 Allowed 'General case' 0 C--N 1.342 0.264 0 C-N-CA 124.482 1.113 . . . . 0.0 109.351 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 t -63.77 -30.63 71.71 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.725 0.81 . . . . 0.0 111.205 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -59.29 -52.7 64.52 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.143 0.977 . . . . 0.0 110.503 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.9 -49.91 77.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 123.65 0.78 . . . . 0.0 110.689 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.37 -44.85 84.76 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.435 0.694 . . . . 0.0 111.027 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.06 -43.54 99.01 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.308 0.956 . . . . 0.0 111.974 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -62.83 -49.91 73.06 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.245 1.018 . . . . 0.0 110.646 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.8 mt -58.77 -48.81 79.93 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.841 0.856 . . . . 0.0 110.585 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.9 t -56.77 -43.53 80.92 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.764 0.826 . . . . 0.0 111.532 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -62.83 -47.92 81.32 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.152 0.981 . . . . 0.0 111.01 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.15 -47.81 84.48 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.997 0.919 . . . . 0.0 111.188 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.29 -46.12 90.94 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.909 0.883 . . . . 0.0 110.771 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -64.01 -38.41 90.98 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.121 0.568 . . . . 0.0 111.717 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.32 -59.23 5.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.704 0.802 . . . . 0.0 110.138 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.14 -33.35 75.58 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 119.266 -0.397 . . . . 0.0 111.848 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -59.2 -50.78 72.7 Favored 'General case' 0 C--N 1.341 0.223 0 C-N-CA 123.414 0.686 . . . . 0.0 110.063 173.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -88.28 44.27 1.19 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.984 0.914 . . . . 0.0 109.632 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 65.45 127.32 0.03 OUTLIER Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 127.345 2.258 . . . . 0.0 112.448 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -61.2 -42.81 32.86 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.194 1.93 . . . . 0.0 109.53 172.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.0 mmm-85 -79.24 89.32 4.9 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 163.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p -61.48 128.05 34.44 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 173.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.8 t70 59.7 78.31 0.28 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.559 1.143 . . . . 0.0 108.444 -161.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.74 137.06 25.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 C-N-CA 124.11 0.964 . . . . 0.0 112.677 -166.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -119.61 -50.48 0.29 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 108.657 -1.777 . . . . 0.0 108.657 169.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -154.23 79.52 1.11 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.497 1.119 . . . . 0.0 108.961 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.39 91.04 0.09 OUTLIER Glycine 0 C--N 1.34 0.758 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.6 t -62.21 150.33 84.62 Favored Pre-proline 0 CA--C 1.54 0.574 0 C-N-CA 124.689 1.196 . . . . 0.0 110.463 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -52.11 -49.34 17.66 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.321 2.68 . . . . 0.0 113.692 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.032 0 O-C-N 122.441 -0.162 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 N--CA 1.472 0.663 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t 76.47 -49.87 0.58 Allowed 'General case' 0 C--N 1.343 0.308 0 C-N-CA 126.548 1.939 . . . . 0.0 111.109 -169.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -144.6 141.08 29.16 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.157 1.383 . . . . 0.0 109.189 176.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.04 68.55 10.34 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.282 1.033 . . . . 0.0 109.487 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 t -151.94 -63.05 0.17 Allowed 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.669 1.188 . . . . 0.0 108.021 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.3 p -60.43 -41.88 94.93 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.363 0.665 . . . . 0.0 110.047 170.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -67.93 -41.95 81.77 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.399 1.08 . . . . 0.0 111.096 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.88 -57.19 12.24 Favored 'Isoleucine or valine' 0 C--N 1.34 0.186 0 C-N-CA 124.164 0.986 . . . . 0.0 109.792 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -57.79 -40.24 79.38 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.774 0.829 . . . . 0.0 111.132 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.71 -49.08 82.47 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.173 0.892 . . . . 0.0 111.668 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -63.32 -45.57 90.7 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.119 0.968 . . . . 0.0 111.211 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.5 -52.85 63.43 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.397 0.679 . . . . 0.0 110.434 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 t -56.13 -46.73 79.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.036 0.934 . . . . 0.0 111.377 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -57.98 -50.29 73.91 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.667 1.187 . . . . 0.0 110.899 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -65.17 -47.97 75.14 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.666 0.786 . . . . 0.0 111.137 -175.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 mt -58.29 -43.27 87.98 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.32 1.048 . . . . 0.0 110.872 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -66.29 -39.21 89.23 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.746 0.419 . . . . 0.0 111.44 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -64.74 -49.91 68.97 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.518 0.727 . . . . 0.0 111.1 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.79 -31.51 70.58 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.644 0.378 . . . . 0.0 111.895 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -64.03 -50.34 68.83 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.866 0.866 . . . . 0.0 110.297 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.3 m -60.47 -51.03 71.21 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.507 1.123 . . . . 0.0 110.203 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.1 t80 55.68 70.58 1.49 Allowed Pre-proline 0 CA--C 1.535 0.383 0 C-N-CA 125.626 1.57 . . . . 0.0 110.415 -174.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.95 167.6 26.7 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 123.132 2.555 . . . . 0.0 111.036 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -133.25 23.79 4.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.754 1.222 . . . . 0.0 111.036 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.9 m -143.69 65.92 1.3 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.1 t70 53.38 -107.67 0.37 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.41 1.484 . . . . 0.0 109.939 -175.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.19 85.79 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 169.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.72 -171.13 36.33 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.651 0.643 . . . . 0.0 111.841 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.85 128.77 37.46 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.695 0.798 . . . . 0.0 110.108 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.64 73.82 2.35 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.358 0.98 . . . . 0.0 111.608 -173.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.4 m 58.71 73.71 0.68 Allowed Pre-proline 0 CA--C 1.536 0.433 0 C-N-CA 125.483 1.513 . . . . 0.0 110.261 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.7 -44.32 1.05 Allowed 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.233 2.622 . . . . 0.0 111.337 -177.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.037 0 O-C-N 122.202 -0.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 m -140.47 -48.81 0.44 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.885 1.274 . . . . 0.0 109.969 175.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -66.79 -42.18 86.4 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.491 1.117 . . . . 0.0 112.404 -172.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.5 mt 59.47 51.81 6.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.272 1.429 . . . . 0.0 109.232 -167.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 t -158.43 -64.54 0.08 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.7 1.2 . . . . 0.0 108.416 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.2 p -60.13 -32.62 71.18 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.088 0.555 . . . . 0.0 110.471 170.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.1 m -65.0 -54.43 30.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.437 1.095 . . . . 0.0 110.372 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 p -70.09 -41.87 79.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.718 0.807 . . . . 0.0 111.324 -175.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.78 -44.69 96.47 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.478 0.711 . . . . 0.0 110.438 174.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.27 -46.39 93.92 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.764 0.697 . . . . 0.0 111.458 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -62.36 -57.13 12.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.805 0.842 . . . . 0.0 111.581 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.14 -36.4 79.65 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.233 0.469 . . . . 0.0 111.616 -177.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.1 t -63.18 -44.24 95.95 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.615 0.766 . . . . 0.0 111.076 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -65.87 -39.5 90.77 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.81 0.844 . . . . 0.0 111.241 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -72.36 -46.28 56.1 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.911 0.885 . . . . 0.0 111.387 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.29 -31.88 72.95 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 118.342 0.519 . . . . 0.0 111.275 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -63.34 -50.59 69.37 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 122.958 0.503 . . . . 0.0 110.221 171.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -52.73 -58.66 6.12 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.883 0.873 . . . . 0.0 110.912 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.72 -28.73 70.09 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.64 -63.72 1.28 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.134 0.574 . . . . 0.0 110.421 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.4 p -69.3 -31.85 70.6 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.638 0.775 . . . . 0.0 112.177 -176.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 t80 61.64 72.52 0.66 Allowed Pre-proline 0 CA--C 1.536 0.44 0 C-N-CA 125.824 1.65 . . . . 0.0 111.572 -177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -83.75 -171.84 1.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 124.058 3.172 . . . . 0.0 109.589 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -66.28 -60.94 2.3 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 172.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.4 m -149.79 139.75 21.95 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.897 1.279 . . . . 0.0 108.376 176.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -156.88 75.29 0.83 Allowed 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.3 t -134.79 134.78 53.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 124.766 1.226 . . . . 0.0 108.44 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.51 105.21 1.23 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 172.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 67.54 179.93 0.22 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.015 1.726 . . . . 0.0 111.4 -171.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.54 -66.36 2.52 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.6 m -72.48 130.14 86.26 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 170.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -49.92 -55.89 3.67 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.556 2.837 . . . . 0.0 113.193 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.023 0 O-C-N 122.31 -0.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.2 p -154.05 40.26 0.48 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.568 1.147 . . . . 0.0 109.589 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.416 HD21 ' HO3' ' A' ' 40' ' ' MAN . 9.7 p30 168.41 -31.77 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 127.847 2.459 . . . . 0.0 109.783 -175.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.0 mt 70.57 70.98 0.2 Allowed 'General case' 0 C--N 1.343 0.283 0 C-N-CA 126.218 1.807 . . . . 0.0 110.287 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -142.37 -72.27 0.32 Allowed 'General case' 0 C--N 1.341 0.231 0 C-N-CA 124.228 1.011 . . . . 0.0 109.184 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 t -64.39 -34.69 78.76 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.026 0.53 . . . . 0.0 110.78 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.3 t -66.47 -43.37 85.63 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.734 1.214 . . . . 0.0 110.656 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.8 t -64.28 -51.53 67.26 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 C-N-CA 124.146 0.978 . . . . 0.0 109.815 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.7 mt -56.9 -39.36 74.29 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.755 0.822 . . . . 0.0 111.051 176.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.87 -46.15 95.1 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 124.145 0.879 . . . . 0.0 111.694 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -41.84 91.32 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.992 0.917 . . . . 0.0 111.228 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.41 -46.78 84.81 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.341 0.657 . . . . 0.0 110.529 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.3 t -58.85 -39.45 81.37 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.317 1.047 . . . . 0.0 111.407 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -67.62 -44.64 77.51 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.489 0.716 . . . . 0.0 110.402 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -63.63 -50.56 68.86 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.893 0.877 . . . . 0.0 111.565 -175.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.11 -29.07 70.07 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.187 -0.435 . . . . 0.0 111.604 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -72.78 -42.81 63.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.988 -0.529 . . . . 0.0 111.432 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -57.88 -51.16 70.74 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 123.159 0.584 . . . . 0.0 111.008 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.44 -29.83 68.56 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -67.06 -50.71 60.91 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.622 0.769 . . . . 0.0 111.053 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -80.45 -28.04 37.78 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.26 0.624 . . . . 0.0 112.013 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.3 p90 48.34 83.42 0.22 Allowed Pre-proline 0 CA--C 1.537 0.478 0 C-N-CA 126.778 2.031 . . . . 0.0 112.007 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -82.47 66.02 8.18 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.62 2.88 . . . . 0.0 109.884 -177.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 mtm105 -85.5 71.97 10.7 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.715 1.206 . . . . 0.0 109.183 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 t -155.84 148.44 23.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.801 1.24 . . . . 0.0 109.166 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -144.27 153.55 42.15 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 124.588 1.155 . . . . 0.0 109.656 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 p -149.91 74.62 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 177.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.49 58.01 6.87 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -168.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.16 164.08 37.36 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.462 1.105 . . . . 0.0 110.15 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -71.36 96.51 0.64 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 124.388 0.994 . . . . 0.0 111.722 -173.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.5 m -65.38 -42.78 60.62 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-O 117.828 -1.082 . . . . 0.0 112.351 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.27 150.01 69.43 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.842 2.361 . . . . 0.0 112.544 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.047 0 CA-C-N 116.744 -0.207 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MAN . . . . . 0.416 ' HO3' HD21 ' A' ' 3' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 111.241 0.089 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t 92.49 -38.51 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 127.479 2.312 . . . . 0.0 108.926 -157.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -59.45 -53.49 57.55 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.713 1.205 . . . . 0.0 109.814 165.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 55.5 mt 58.48 52.38 7.15 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.614 1.566 . . . . 0.0 111.896 177.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -161.04 -55.29 0.05 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.571 1.148 . . . . 0.0 108.276 173.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.0 p -68.34 -39.13 81.99 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.075 0.95 . . . . 0.0 110.47 171.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -63.36 -53.98 44.04 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.156 0.982 . . . . 0.0 110.985 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.2 p -65.0 -37.7 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 123.432 0.693 . . . . 0.0 111.246 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.0 -46.62 90.03 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.787 0.835 . . . . 0.0 110.283 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.8 97.88 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 123.604 0.621 . . . . 0.0 111.908 175.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -62.8 -55.43 26.46 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.059 0.943 . . . . 0.0 111.091 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.55 -35.85 81.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 119.461 -0.304 . . . . 0.0 111.557 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.5 t -61.02 -49.94 75.39 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 122.959 0.504 . . . . 0.0 110.228 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -59.59 -42.98 93.76 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.166 0.986 . . . . 0.0 111.157 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -64.22 -51.71 62.34 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.536 0.734 . . . . 0.0 111.159 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.97 -36.22 83.7 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.254 0.622 . . . . 0.0 111.325 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -63.79 -43.69 95.59 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.271 0.628 . . . . 0.0 111.079 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -62.29 -48.43 79.9 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.5 1.12 . . . . 0.0 110.429 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.93 -79.46 0.06 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.028 0.931 . . . . 0.0 109.568 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? 63.6 -80.25 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 126.998 2.119 . . . . 0.0 111.595 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.9 m -84.33 -51.15 7.2 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.244 1.018 . . . . 0.0 109.175 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.0 p90 44.46 69.72 2.32 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 126.528 1.931 . . . . 0.0 112.854 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.48 -46.43 7.35 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 122.606 2.204 . . . . 0.0 109.708 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -63.72 131.88 49.28 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.688 0.795 . . . . 0.0 109.08 168.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.3 t -149.31 135.05 18.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.422 1.089 . . . . 0.0 108.88 171.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 69.57 -77.65 0.05 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.394 1.877 . . . . 0.0 112.042 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.4 -34.46 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.619 1.568 . . . . 0.0 110.688 -175.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.69 -113.27 0.28 Allowed Glycine 0 C--N 1.339 0.732 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 51.89 80.1 0.09 Allowed 'General case' 0 C--N 1.341 0.223 0 C-N-CA 125.242 1.417 . . . . 0.0 111.543 174.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.12 85.79 0.08 OUTLIER Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.752 1.168 . . . . 0.0 111.374 -177.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.4 m -151.86 124.09 3.95 Favored Pre-proline 0 CA--C 1.533 0.306 0 C-N-CA 125.607 1.563 . . . . 0.0 107.312 -174.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -74.87 158.82 42.45 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.938 2.425 . . . . 0.0 111.326 -175.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 0 CA-C-N 116.616 -0.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 m -50.21 -85.25 0.0 OUTLIER 'General case' 0 C--N 1.345 0.407 0 C-N-CA 126.049 1.739 . . . . 0.0 111.201 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 179.58 148.12 0.25 Allowed 'General case' 0 C--N 1.347 0.47 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 148.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.2 mt 52.06 60.48 3.8 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 127.611 2.364 . . . . 0.0 113.023 170.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p 168.14 -61.19 0.01 OUTLIER 'General case' 0 C--N 1.338 0.077 0 C-N-CA 127.314 2.246 . . . . 0.0 106.583 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -39.71 -50.44 2.32 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 128.265 2.626 . . . . 0.0 113.226 172.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.8 m -111.35 -7.25 14.4 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.058 1.743 . . . . 0.0 110.947 -168.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.8 t -68.64 -52.24 37.86 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 162.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.0 -41.0 74.18 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.922 1.289 . . . . 0.0 110.622 170.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.47 -50.37 60.44 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.574 0.606 . . . . 0.0 111.712 174.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -52.87 63.39 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.847 0.859 . . . . 0.0 109.717 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 mt -54.29 -38.05 65.45 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.482 1.113 . . . . 0.0 111.966 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 t -58.71 -44.15 90.29 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.857 0.463 . . . . 0.0 110.948 176.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -63.94 -35.48 80.81 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 118.964 -0.541 . . . . 0.0 112.005 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.46 -45.35 87.8 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 118.623 0.647 . . . . 0.0 110.568 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.1 mt -59.98 -42.55 94.41 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.548 0.739 . . . . 0.0 110.906 176.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -62.37 -44.77 95.68 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.015 0.526 . . . . 0.0 110.965 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -60.1 -52.67 64.35 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.65 1.18 . . . . 0.0 111.177 -175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -70.52 -30.19 66.88 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -64.14 -52.41 59.22 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 123.467 0.707 . . . . 0.0 110.539 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -75.57 -34.66 60.7 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.073 -0.489 . . . . 0.0 111.679 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.5 p90 47.82 90.41 0.08 OUTLIER Pre-proline 0 CA--C 1.538 0.519 0 C-N-CA 126.871 2.068 . . . . 0.0 112.047 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -65.09 -40.46 20.07 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.296 1.997 . . . . 0.0 110.336 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.3 ttm-85 60.96 82.17 0.17 Allowed 'General case' 0 C--N 1.341 0.237 0 C-N-CA 125.162 1.385 . . . . 0.0 111.397 167.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.6 m -88.81 49.42 1.78 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.649 0.78 . . . . 0.0 109.11 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -172.56 70.45 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.923 1.689 . . . . 0.0 107.255 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.4 t -86.84 90.13 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -176.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.03 -107.1 0.4 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.44 61.05 6.39 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 173.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.55 -92.43 0.43 Allowed Glycine 0 C--N 1.341 0.807 0 N-CA-C 107.495 -2.242 . . . . 0.0 107.495 -162.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.0 m -75.42 129.46 82.07 Favored Pre-proline 0 CA--C 1.537 0.464 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 165.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -75.33 157.32 41.46 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.35 2.7 . . . . 0.0 111.058 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.009 0 CA-C-N 116.535 -0.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 120.832 0.349 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 p -67.9 142.37 56.09 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 167.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 p30 50.31 -167.22 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.994 1.718 . . . . 0.0 112.413 -168.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -148.67 54.49 1.0 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.805 0.842 . . . . 0.0 109.514 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 t -139.28 -65.5 0.48 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.488 1.115 . . . . 0.0 108.926 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.7 m -75.42 -35.49 60.98 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.192 0.597 . . . . 0.0 110.088 175.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -57.4 -51.66 68.51 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.03 0.532 . . . . 0.0 110.053 170.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.72 -47.61 92.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 124.026 0.931 . . . . 0.0 110.672 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.1 tp -55.84 -43.57 77.16 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.84 0.856 . . . . 0.0 110.59 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.66 -37.65 95.05 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.884 0.754 . . . . 0.0 112.53 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -65.13 0.73 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.843 0.857 . . . . 0.0 111.424 -171.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -27.9 67.31 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.8 t -61.11 -43.94 98.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.914 0.779 . . . . 0.0 110.731 172.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -62.33 -47.51 83.95 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.297 0.639 . . . . 0.0 110.545 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -55.08 -52.12 64.23 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.077 0.551 . . . . 0.0 110.856 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.6 mt -57.85 -41.28 82.07 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.102 0.961 . . . . 0.0 111.591 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -66.67 -33.55 75.91 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.598 0.759 . . . . 0.0 112.27 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -75.14 -57.62 3.78 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.293 0.637 . . . . 0.0 110.381 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 pp -65.87 -43.28 88.81 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.727 -0.654 . . . . 0.0 111.556 -176.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 26.95 60.96 0.09 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 128.145 2.578 . . . . 0.0 114.304 171.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m 54.06 47.54 23.08 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.368 1.467 . . . . 0.0 111.943 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -109.69 -44.42 0.1 Allowed Pre-proline 0 CA--C 1.536 0.44 0 CA-C-O 117.547 -1.216 . . . . 0.0 112.041 174.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.59 -52.87 6.05 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.435 2.09 . . . . 0.0 110.628 173.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -98.92 112.09 24.3 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 167.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 p -84.63 58.79 5.11 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.902 0.881 . . . . 0.0 109.976 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.94 146.99 41.31 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.874 0.87 . . . . 0.0 110.222 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 p -143.2 57.01 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 124.334 1.054 . . . . 0.0 108.476 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.64 79.53 1.25 Allowed Glycine 0 C--N 1.341 0.817 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 175.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.11 44.67 24.85 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.143 1.377 . . . . 0.0 110.654 -167.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.61 65.47 3.95 Favored Glycine 0 C--N 1.341 0.853 0 N-CA-C 110.321 -1.112 . . . . 0.0 110.321 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.8 m -59.69 -58.2 21.21 Favored Pre-proline 0 CA--C 1.537 0.461 0 C-N-CA 124.454 1.102 . . . . 0.0 111.422 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.66 -41.19 11.61 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.159 1.906 . . . . 0.0 111.204 173.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.064 0 O-C-N 122.129 -0.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 45.7 t . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 119.833 -0.127 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.8 m 56.61 -103.9 0.2 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.505 1.522 . . . . 0.0 111.099 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -65.82 141.97 58.11 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.453 1.101 . . . . 0.0 110.894 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.8 58.55 5.13 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.448 1.099 . . . . 0.0 109.877 176.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -137.36 -62.19 0.62 Allowed 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.987 1.315 . . . . 0.0 107.925 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.5 p -63.25 -44.04 96.33 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 169.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.5 t -68.67 -45.84 70.66 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.438 1.095 . . . . 0.0 111.738 -174.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.63 -44.19 86.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 122.585 0.354 . . . . 0.0 111.027 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.21 -43.88 97.83 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.43 0.692 . . . . 0.0 110.454 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.36 -45.61 94.06 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 123.8 0.714 . . . . 0.0 111.693 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -62.52 -55.73 24.65 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.185 0.994 . . . . 0.0 110.964 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.4 -34.7 78.54 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 119.271 -0.395 . . . . 0.0 111.779 -176.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -62.58 -50.92 69.38 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 122.9 0.48 . . . . 0.0 110.365 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -56.72 -48.84 76.85 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.653 1.181 . . . . 0.0 110.826 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.45 -53.53 56.5 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.539 1.136 . . . . 0.0 110.998 -176.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.7 -40.0 90.6 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.961 0.905 . . . . 0.0 111.309 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -66.97 -34.09 76.99 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.268 0.627 . . . . 0.0 111.856 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -68.64 -58.24 4.55 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.431 0.692 . . . . 0.0 110.368 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.74 -51.35 50.22 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 119.106 -0.473 . . . . 0.0 111.078 -178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 54.44 -87.79 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 127.193 2.197 . . . . 0.0 112.655 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.8 t -63.69 -23.38 67.35 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.547 1.139 . . . . 0.0 112.088 175.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.5 t80 63.08 88.79 0.11 Allowed Pre-proline 0 CA--C 1.532 0.281 0 C-N-CA 126.273 1.829 . . . . 0.0 111.436 -178.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.62 122.29 11.54 Favored 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 123.317 2.678 . . . . 0.0 109.522 164.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -66.22 139.92 58.13 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.759 0.423 . . . . 0.0 111.104 -175.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.1 p -91.28 79.31 5.68 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.075 0.95 . . . . 0.0 109.395 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -66.33 144.19 56.72 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.401 0.68 . . . . 0.0 110.464 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.5 t -71.95 -61.87 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 123.781 0.833 . . . . 0.0 109.256 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.35 -108.77 2.58 Favored Glycine 0 C--N 1.339 0.737 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 61.1 -170.77 0.15 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.302 1.441 . . . . 0.0 112.49 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.52 -64.16 3.63 Favored Glycine 0 C--N 1.34 0.768 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.2 p -74.75 122.83 88.35 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 170.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -47.31 122.76 6.93 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 124.263 3.309 . . . . 0.0 113.361 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.024 0 O-C-N 122.425 -0.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.2 m -60.85 -47.11 87.86 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.782 0.833 . . . . 0.0 109.104 168.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.7 t -64.44 -52.44 58.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.271 1.029 . . . . 0.0 111.742 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 p -62.4 -42.1 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 118.532 0.605 . . . . 0.0 111.488 -174.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.87 -37.74 85.66 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.238 0.615 . . . . 0.0 110.966 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.67 -46.77 93.45 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.677 0.655 . . . . 0.0 111.916 175.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -69.08 -38.78 79.2 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.192 0.997 . . . . 0.0 111.643 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 mt -64.04 -42.91 96.9 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.648 0.779 . . . . 0.0 110.594 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.2 t -62.62 -44.32 96.6 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.25 0.62 . . . . 0.0 110.694 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -63.1 -44.54 95.42 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.89 0.876 . . . . 0.0 111.203 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -54.31 -50.91 66.25 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.426 1.09 . . . . 0.0 110.249 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.4 mt -59.24 -43.91 92.38 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.847 0.859 . . . . 0.0 111.502 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -55.84 -51.96 65.69 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.449 0.568 . . . . 0.0 110.724 177.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.82 -56.02 27.62 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.155 0.982 . . . . 0.0 112.004 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -176.076 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.456 -0.167 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 83.2 m -64.17 -37.58 87.99 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.514 0.726 . . . . 0.0 110.394 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.4 p -64.87 -38.52 91.24 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.429 0.692 . . . . 0.0 111.252 175.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.71 -53.41 35.26 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 123.843 0.857 . . . . 0.0 109.544 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.23 -46.3 86.16 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.718 1.207 . . . . 0.0 111.029 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.92 -46.15 95.13 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 123.7 0.667 . . . . 0.0 111.783 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -62.89 -52.63 62.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.476 1.11 . . . . 0.0 111.452 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.22 -35.14 78.96 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.061 0.391 . . . . 0.0 111.714 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -63.11 -47.28 83.5 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.861 0.464 . . . . 0.0 110.471 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -60.92 -46.36 90.98 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.073 0.949 . . . . 0.0 110.745 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -57.29 -51.15 70.54 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.309 1.044 . . . . 0.0 110.953 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.59 -40.81 93.15 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.868 0.867 . . . . 0.0 111.271 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -66.92 -31.32 71.83 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.382 0.673 . . . . 0.0 112.181 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -71.2 -60.6 2.14 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 123.296 0.638 . . . . 0.0 110.304 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 119.195 -0.431 . . . . 0.0 111.061 -176.48 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 p . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 t -63.77 -30.63 71.71 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.725 0.81 . . . . 0.0 111.205 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -59.29 -52.7 64.52 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.143 0.977 . . . . 0.0 110.503 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.9 -49.91 77.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 123.65 0.78 . . . . 0.0 110.689 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.37 -44.85 84.76 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.435 0.694 . . . . 0.0 111.027 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.06 -43.54 99.01 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.308 0.956 . . . . 0.0 111.974 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -62.83 -49.91 73.06 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.245 1.018 . . . . 0.0 110.646 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.8 mt -58.77 -48.81 79.93 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.841 0.856 . . . . 0.0 110.585 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.9 t -56.77 -43.53 80.92 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.764 0.826 . . . . 0.0 111.532 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -62.83 -47.92 81.32 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.152 0.981 . . . . 0.0 111.01 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.15 -47.81 84.48 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.997 0.919 . . . . 0.0 111.188 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.29 -46.12 90.94 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.909 0.883 . . . . 0.0 110.771 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -64.01 -38.41 90.98 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.121 0.568 . . . . 0.0 111.717 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.32 -59.23 5.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.704 0.802 . . . . 0.0 110.138 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 CA--C 1.532 0.25 0 CA-C-O 119.266 -0.397 . . . . 0.0 111.848 -178.861 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.3 p -60.43 -41.88 94.93 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.363 0.665 . . . . 0.0 110.047 170.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -67.93 -41.95 81.77 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.399 1.08 . . . . 0.0 111.096 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.88 -57.19 12.24 Favored 'Isoleucine or valine' 0 C--N 1.34 0.186 0 C-N-CA 124.164 0.986 . . . . 0.0 109.792 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -57.79 -40.24 79.38 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.774 0.829 . . . . 0.0 111.132 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.71 -49.08 82.47 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.173 0.892 . . . . 0.0 111.668 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -63.32 -45.57 90.7 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.119 0.968 . . . . 0.0 111.211 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.5 -52.85 63.43 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.397 0.679 . . . . 0.0 110.434 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 t -56.13 -46.73 79.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.036 0.934 . . . . 0.0 111.377 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -57.98 -50.29 73.91 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.667 1.187 . . . . 0.0 110.899 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -65.17 -47.97 75.14 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.666 0.786 . . . . 0.0 111.137 -175.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 mt -58.29 -43.27 87.98 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.32 1.048 . . . . 0.0 110.872 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -66.29 -39.21 89.23 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.746 0.419 . . . . 0.0 111.44 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -64.74 -49.91 68.97 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.518 0.727 . . . . 0.0 111.1 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.533 0.311 0 C-N-CA 122.644 0.378 . . . . 0.0 111.895 178.515 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.2 p -60.13 -32.62 71.18 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.088 0.555 . . . . 0.0 110.471 170.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.1 m -65.0 -54.43 30.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.437 1.095 . . . . 0.0 110.372 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 p -70.09 -41.87 79.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.718 0.807 . . . . 0.0 111.324 -175.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.78 -44.69 96.47 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.478 0.711 . . . . 0.0 110.438 174.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.27 -46.39 93.92 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.764 0.697 . . . . 0.0 111.458 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -62.36 -57.13 12.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.805 0.842 . . . . 0.0 111.581 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.14 -36.4 79.65 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.233 0.469 . . . . 0.0 111.616 -177.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.1 t -63.18 -44.24 95.95 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.615 0.766 . . . . 0.0 111.076 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -65.87 -39.5 90.77 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.81 0.844 . . . . 0.0 111.241 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -72.36 -46.28 56.1 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.911 0.885 . . . . 0.0 111.387 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.29 -31.88 72.95 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 118.342 0.519 . . . . 0.0 111.275 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -63.34 -50.59 69.37 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 122.958 0.503 . . . . 0.0 110.221 171.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -52.73 -58.66 6.12 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.883 0.873 . . . . 0.0 110.912 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -175.88 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 CA--C 1.529 0.147 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 t -64.39 -34.69 78.76 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.026 0.53 . . . . 0.0 110.78 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.3 t -66.47 -43.37 85.63 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.734 1.214 . . . . 0.0 110.656 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.8 t -64.28 -51.53 67.26 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 C-N-CA 124.146 0.978 . . . . 0.0 109.815 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.7 mt -56.9 -39.36 74.29 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.755 0.822 . . . . 0.0 111.051 176.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.87 -46.15 95.1 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 124.145 0.879 . . . . 0.0 111.694 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -41.84 91.32 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.992 0.917 . . . . 0.0 111.228 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.41 -46.78 84.81 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.341 0.657 . . . . 0.0 110.529 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.3 t -58.85 -39.45 81.37 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.317 1.047 . . . . 0.0 111.407 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -67.62 -44.64 77.51 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.489 0.716 . . . . 0.0 110.402 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -63.63 -50.56 68.86 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.893 0.877 . . . . 0.0 111.565 -175.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.11 -29.07 70.07 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.187 -0.435 . . . . 0.0 111.604 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -72.78 -42.81 63.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.988 -0.529 . . . . 0.0 111.432 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -57.88 -51.16 70.74 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 123.159 0.584 . . . . 0.0 111.008 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.491 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.0 p -68.34 -39.13 81.99 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.075 0.95 . . . . 0.0 110.47 171.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -63.36 -53.98 44.04 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.156 0.982 . . . . 0.0 110.985 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.2 p -65.0 -37.7 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 123.432 0.693 . . . . 0.0 111.246 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.0 -46.62 90.03 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.787 0.835 . . . . 0.0 110.283 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.8 97.88 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 123.604 0.621 . . . . 0.0 111.908 175.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -62.8 -55.43 26.46 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.059 0.943 . . . . 0.0 111.091 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.55 -35.85 81.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 119.461 -0.304 . . . . 0.0 111.557 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.5 t -61.02 -49.94 75.39 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 122.959 0.504 . . . . 0.0 110.228 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -59.59 -42.98 93.76 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.166 0.986 . . . . 0.0 111.157 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -64.22 -51.71 62.34 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.536 0.734 . . . . 0.0 111.159 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.97 -36.22 83.7 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.254 0.622 . . . . 0.0 111.325 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -63.79 -43.69 95.59 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.271 0.628 . . . . 0.0 111.079 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -62.29 -48.43 79.9 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.5 1.12 . . . . 0.0 110.429 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 CA--C 1.532 0.288 0 C-N-CA 124.028 0.931 . . . . 0.0 109.568 179.047 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 C--O 1.228 -0.07 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.47 HG23 ' N ' ' A' ' 7' ' ' CYS . 14.2 t -39.71 -50.44 2.32 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 128.265 2.626 . . . . 0.0 113.226 172.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.47 ' N ' HG23 ' A' ' 6' ' ' THR . 7.8 m -111.35 -7.25 14.4 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.058 1.743 . . . . 0.0 110.947 -168.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.8 t -68.64 -52.24 37.86 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 162.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.0 -41.0 74.18 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.922 1.289 . . . . 0.0 110.622 170.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.47 -50.37 60.44 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.574 0.606 . . . . 0.0 111.712 174.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -52.87 63.39 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.847 0.859 . . . . 0.0 109.717 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 mt -54.29 -38.05 65.45 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.482 1.113 . . . . 0.0 111.966 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 t -58.71 -44.15 90.29 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.857 0.463 . . . . 0.0 110.948 176.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -63.94 -35.48 80.81 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 118.964 -0.541 . . . . 0.0 112.005 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.46 -45.35 87.8 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 118.623 0.647 . . . . 0.0 110.568 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.1 mt -59.98 -42.55 94.41 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.548 0.739 . . . . 0.0 110.906 176.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -62.37 -44.77 95.68 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.015 0.526 . . . . 0.0 110.965 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -60.1 -52.67 64.35 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.65 1.18 . . . . 0.0 111.177 -175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.806 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.7 m -75.42 -35.49 60.98 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.192 0.597 . . . . 0.0 110.088 175.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -57.4 -51.66 68.51 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.03 0.532 . . . . 0.0 110.053 170.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.72 -47.61 92.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 124.026 0.931 . . . . 0.0 110.672 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.1 tp -55.84 -43.57 77.16 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.84 0.856 . . . . 0.0 110.59 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.66 -37.65 95.05 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.884 0.754 . . . . 0.0 112.53 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -65.13 0.73 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.843 0.857 . . . . 0.0 111.424 -171.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -27.9 67.31 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.8 t -61.11 -43.94 98.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.914 0.779 . . . . 0.0 110.731 172.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -62.33 -47.51 83.95 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.297 0.639 . . . . 0.0 110.545 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -55.08 -52.12 64.23 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.077 0.551 . . . . 0.0 110.856 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.6 mt -57.85 -41.28 82.07 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.102 0.961 . . . . 0.0 111.591 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -66.67 -33.55 75.91 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.598 0.759 . . . . 0.0 112.27 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -75.14 -57.62 3.78 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.293 0.637 . . . . 0.0 110.381 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 118.727 -0.654 . . . . 0.0 111.556 -176.591 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.5 p -63.25 -44.04 96.33 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 169.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.5 t -68.67 -45.84 70.66 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.438 1.095 . . . . 0.0 111.738 -174.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.63 -44.19 86.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 122.585 0.354 . . . . 0.0 111.027 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.21 -43.88 97.83 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.43 0.692 . . . . 0.0 110.454 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.36 -45.61 94.06 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 123.8 0.714 . . . . 0.0 111.693 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -62.52 -55.73 24.65 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.185 0.994 . . . . 0.0 110.964 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.4 -34.7 78.54 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 119.271 -0.395 . . . . 0.0 111.779 -176.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -62.58 -50.92 69.38 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 122.9 0.48 . . . . 0.0 110.365 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -56.72 -48.84 76.85 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.653 1.181 . . . . 0.0 110.826 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.45 -53.53 56.5 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.539 1.136 . . . . 0.0 110.998 -176.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.7 -40.0 90.6 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.961 0.905 . . . . 0.0 111.309 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -66.97 -34.09 76.99 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.268 0.627 . . . . 0.0 111.856 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -68.64 -58.24 4.55 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.431 0.692 . . . . 0.0 110.368 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 CA--C 1.532 0.286 0 CA-C-O 119.106 -0.473 . . . . 0.0 111.078 -178.838 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 53.9 m . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -69.4 -34.39 74.42 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.126 0.97 . . . . 0.0 110.633 169.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -55.17 -70.95 0.09 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.03 1.332 . . . . 0.0 111.854 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.8 mt 51.94 42.11 30.02 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.494 1.118 . . . . 0.0 110.131 -165.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t -158.68 -72.99 0.08 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.073 1.349 . . . . 0.0 107.64 -173.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.2 m -60.85 -47.11 87.86 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.782 0.833 . . . . 0.0 109.104 168.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.7 t -64.44 -52.44 58.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.271 1.029 . . . . 0.0 111.742 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 p -62.4 -42.1 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 118.532 0.605 . . . . 0.0 111.488 -174.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.87 -37.74 85.66 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.238 0.615 . . . . 0.0 110.966 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.67 -46.77 93.45 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.677 0.655 . . . . 0.0 111.916 175.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -69.08 -38.78 79.2 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.192 0.997 . . . . 0.0 111.643 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 mt -64.04 -42.91 96.9 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.648 0.779 . . . . 0.0 110.594 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.2 t -62.62 -44.32 96.6 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.25 0.62 . . . . 0.0 110.694 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -63.1 -44.54 95.42 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.89 0.876 . . . . 0.0 111.203 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -54.31 -50.91 66.25 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.426 1.09 . . . . 0.0 110.249 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.4 mt -59.24 -43.91 92.38 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.847 0.859 . . . . 0.0 111.502 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -55.84 -51.96 65.69 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.449 0.568 . . . . 0.0 110.724 177.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.82 -56.02 27.62 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.155 0.982 . . . . 0.0 112.004 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.92 -23.82 66.02 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -176.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -78.65 -49.33 13.37 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.053 0.541 . . . . 0.0 110.577 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.2 m -58.01 -50.7 72.51 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.179 0.991 . . . . 0.0 110.79 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -126.67 139.39 34.7 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 125.167 1.387 . . . . 0.0 108.458 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -46.82 -60.28 0.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 124.308 3.339 . . . . 0.0 113.06 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -160.55 103.37 1.38 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.036 0.934 . . . . 0.0 108.988 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.8 m -148.93 68.5 1.06 Allowed 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 64.3 67.94 0.57 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.296 1.438 . . . . 0.0 110.711 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.0 t -69.34 142.35 16.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 171.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.58 -77.36 0.29 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -176.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 52.98 40.29 30.86 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.047 1.339 . . . . 0.0 113.022 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.99 57.64 4.32 Favored Glycine 0 C--N 1.34 0.778 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.2 p -128.7 74.13 80.66 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 125.015 1.326 . . . . 0.0 109.495 -169.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.22 -44.13 1.92 Allowed 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 123.218 2.612 . . . . 0.0 111.282 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.016 0 O-C-N 122.156 -0.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 92.9 m . . . . . 0 N--CA 1.473 0.703 0 CA-C-O 120.629 0.252 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 m -88.8 45.89 1.33 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.111 0.964 . . . . 0.0 109.451 172.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -179.19 -46.08 0.01 OUTLIER 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.637 1.175 . . . . 0.0 111.325 -171.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.5 mt 58.31 48.07 13.05 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.801 1.24 . . . . 0.0 110.019 -170.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t -162.49 -63.33 0.05 OUTLIER 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.902 0.881 . . . . 0.0 109.311 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 83.2 m -64.17 -37.58 87.99 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.514 0.726 . . . . 0.0 110.394 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.4 p -64.87 -38.52 91.24 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.429 0.692 . . . . 0.0 111.252 175.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.71 -53.41 35.26 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 123.843 0.857 . . . . 0.0 109.544 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.23 -46.3 86.16 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.718 1.207 . . . . 0.0 111.029 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.92 -46.15 95.13 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 123.7 0.667 . . . . 0.0 111.783 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -62.89 -52.63 62.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.476 1.11 . . . . 0.0 111.452 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.22 -35.14 78.96 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.061 0.391 . . . . 0.0 111.714 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -63.11 -47.28 83.5 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.861 0.464 . . . . 0.0 110.471 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -60.92 -46.36 90.98 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.073 0.949 . . . . 0.0 110.745 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -57.29 -51.15 70.54 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.309 1.044 . . . . 0.0 110.953 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.59 -40.81 93.15 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.868 0.867 . . . . 0.0 111.271 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -66.92 -31.32 71.83 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.382 0.673 . . . . 0.0 112.181 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -71.2 -60.6 2.14 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 123.296 0.638 . . . . 0.0 110.304 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.42 -52.25 48.53 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 119.195 -0.431 . . . . 0.0 111.061 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 53.37 -84.57 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 127.562 2.345 . . . . 0.0 114.08 168.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.8 p -86.0 -0.77 56.34 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.137 1.375 . . . . 0.0 112.477 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -57.38 -40.29 83.44 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 124.301 1.04 . . . . 0.0 113.609 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -64.95 -174.79 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.268 2.645 . . . . 0.0 112.664 174.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.0 mmt-85 67.71 10.8 8.02 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.66 1.584 . . . . 0.0 112.432 -175.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.1 t -161.67 -51.4 0.04 OUTLIER 'General case' 0 C--N 1.343 0.284 0 C-N-CA 124.166 0.987 . . . . 0.0 110.323 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -82.01 -68.06 0.73 Allowed 'General case' 0 C--N 1.341 0.233 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.2 t -77.33 -44.07 30.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 123.897 0.879 . . . . 0.0 109.409 177.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.11 -88.72 1.48 Allowed Glycine 0 C--N 1.339 0.737 0 N-CA-C 108.506 -1.838 . . . . 0.0 108.506 -173.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.79 -66.73 0.28 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 126.699 2.0 . . . . 0.0 112.389 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.87 49.71 57.32 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -174.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.9 m -140.13 89.12 11.22 Favored Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 124.71 1.204 . . . . 0.0 108.228 -174.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -54.55 -49.48 16.68 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 124.204 3.269 . . . . 0.0 112.713 178.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.046 0 O-C-N 122.408 -0.183 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.2 t . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 120.914 0.388 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 m -68.53 -58.89 3.62 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 123.568 0.747 . . . . 0.0 109.096 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -78.05 176.67 8.96 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.216 1.406 . . . . 0.0 109.959 168.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.02 47.79 2.43 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.761 1.225 . . . . 0.0 109.608 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 p -114.9 -82.81 0.61 Allowed 'General case' 0 C--N 1.342 0.264 0 C-N-CA 124.482 1.113 . . . . 0.0 109.351 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 t -63.77 -30.63 71.71 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.725 0.81 . . . . 0.0 111.205 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -59.29 -52.7 64.52 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.143 0.977 . . . . 0.0 110.503 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.9 -49.91 77.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 123.65 0.78 . . . . 0.0 110.689 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.37 -44.85 84.76 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.435 0.694 . . . . 0.0 111.027 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.06 -43.54 99.01 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.308 0.956 . . . . 0.0 111.974 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -62.83 -49.91 73.06 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.245 1.018 . . . . 0.0 110.646 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.8 mt -58.77 -48.81 79.93 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.841 0.856 . . . . 0.0 110.585 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.9 t -56.77 -43.53 80.92 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.764 0.826 . . . . 0.0 111.532 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -62.83 -47.92 81.32 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.152 0.981 . . . . 0.0 111.01 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.15 -47.81 84.48 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.997 0.919 . . . . 0.0 111.188 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.29 -46.12 90.94 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.909 0.883 . . . . 0.0 110.771 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -64.01 -38.41 90.98 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.121 0.568 . . . . 0.0 111.717 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.32 -59.23 5.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.704 0.802 . . . . 0.0 110.138 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.14 -33.35 75.58 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 119.266 -0.397 . . . . 0.0 111.848 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -59.2 -50.78 72.7 Favored 'General case' 0 C--N 1.341 0.223 0 C-N-CA 123.414 0.686 . . . . 0.0 110.063 173.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -88.28 44.27 1.19 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.984 0.914 . . . . 0.0 109.632 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 65.45 127.32 0.03 OUTLIER Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 127.345 2.258 . . . . 0.0 112.448 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -61.2 -42.81 32.86 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.194 1.93 . . . . 0.0 109.53 172.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.0 mmm-85 -79.24 89.32 4.9 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 163.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p -61.48 128.05 34.44 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 173.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.8 t70 59.7 78.31 0.28 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.559 1.143 . . . . 0.0 108.444 -161.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.74 137.06 25.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 C-N-CA 124.11 0.964 . . . . 0.0 112.677 -166.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -119.61 -50.48 0.29 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 108.657 -1.777 . . . . 0.0 108.657 169.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -154.23 79.52 1.11 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.497 1.119 . . . . 0.0 108.961 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.39 91.04 0.09 OUTLIER Glycine 0 C--N 1.34 0.758 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.6 t -62.21 150.33 84.62 Favored Pre-proline 0 CA--C 1.54 0.574 0 C-N-CA 124.689 1.196 . . . . 0.0 110.463 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -52.11 -49.34 17.66 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.321 2.68 . . . . 0.0 113.692 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.032 0 O-C-N 122.441 -0.162 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 N--CA 1.472 0.663 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t 76.47 -49.87 0.58 Allowed 'General case' 0 C--N 1.343 0.308 0 C-N-CA 126.548 1.939 . . . . 0.0 111.109 -169.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -144.6 141.08 29.16 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.157 1.383 . . . . 0.0 109.189 176.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.04 68.55 10.34 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.282 1.033 . . . . 0.0 109.487 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 t -151.94 -63.05 0.17 Allowed 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.669 1.188 . . . . 0.0 108.021 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.3 p -60.43 -41.88 94.93 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.363 0.665 . . . . 0.0 110.047 170.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -67.93 -41.95 81.77 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.399 1.08 . . . . 0.0 111.096 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.88 -57.19 12.24 Favored 'Isoleucine or valine' 0 C--N 1.34 0.186 0 C-N-CA 124.164 0.986 . . . . 0.0 109.792 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -57.79 -40.24 79.38 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.774 0.829 . . . . 0.0 111.132 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.71 -49.08 82.47 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.173 0.892 . . . . 0.0 111.668 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -63.32 -45.57 90.7 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.119 0.968 . . . . 0.0 111.211 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.5 -52.85 63.43 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.397 0.679 . . . . 0.0 110.434 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 t -56.13 -46.73 79.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.036 0.934 . . . . 0.0 111.377 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -57.98 -50.29 73.91 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.667 1.187 . . . . 0.0 110.899 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -65.17 -47.97 75.14 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.666 0.786 . . . . 0.0 111.137 -175.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 mt -58.29 -43.27 87.98 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.32 1.048 . . . . 0.0 110.872 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -66.29 -39.21 89.23 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.746 0.419 . . . . 0.0 111.44 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -64.74 -49.91 68.97 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.518 0.727 . . . . 0.0 111.1 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.79 -31.51 70.58 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.644 0.378 . . . . 0.0 111.895 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -64.03 -50.34 68.83 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.866 0.866 . . . . 0.0 110.297 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.3 m -60.47 -51.03 71.21 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.507 1.123 . . . . 0.0 110.203 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.1 t80 55.68 70.58 1.49 Allowed Pre-proline 0 CA--C 1.535 0.383 0 C-N-CA 125.626 1.57 . . . . 0.0 110.415 -174.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.95 167.6 26.7 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 123.132 2.555 . . . . 0.0 111.036 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -133.25 23.79 4.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.754 1.222 . . . . 0.0 111.036 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.9 m -143.69 65.92 1.3 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.1 t70 53.38 -107.67 0.37 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.41 1.484 . . . . 0.0 109.939 -175.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.19 85.79 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 169.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.72 -171.13 36.33 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.651 0.643 . . . . 0.0 111.841 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.85 128.77 37.46 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.695 0.798 . . . . 0.0 110.108 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.64 73.82 2.35 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.358 0.98 . . . . 0.0 111.608 -173.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.4 m 58.71 73.71 0.68 Allowed Pre-proline 0 CA--C 1.536 0.433 0 C-N-CA 125.483 1.513 . . . . 0.0 110.261 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.7 -44.32 1.05 Allowed 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.233 2.622 . . . . 0.0 111.337 -177.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.037 0 O-C-N 122.202 -0.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 m -140.47 -48.81 0.44 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.885 1.274 . . . . 0.0 109.969 175.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -66.79 -42.18 86.4 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.491 1.117 . . . . 0.0 112.404 -172.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.5 mt 59.47 51.81 6.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.272 1.429 . . . . 0.0 109.232 -167.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 t -158.43 -64.54 0.08 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.7 1.2 . . . . 0.0 108.416 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.2 p -60.13 -32.62 71.18 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.088 0.555 . . . . 0.0 110.471 170.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.1 m -65.0 -54.43 30.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.437 1.095 . . . . 0.0 110.372 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 p -70.09 -41.87 79.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.718 0.807 . . . . 0.0 111.324 -175.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.78 -44.69 96.47 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.478 0.711 . . . . 0.0 110.438 174.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.27 -46.39 93.92 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.764 0.697 . . . . 0.0 111.458 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -62.36 -57.13 12.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.805 0.842 . . . . 0.0 111.581 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.14 -36.4 79.65 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.233 0.469 . . . . 0.0 111.616 -177.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.1 t -63.18 -44.24 95.95 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.615 0.766 . . . . 0.0 111.076 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -65.87 -39.5 90.77 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.81 0.844 . . . . 0.0 111.241 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -72.36 -46.28 56.1 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.911 0.885 . . . . 0.0 111.387 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.29 -31.88 72.95 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 118.342 0.519 . . . . 0.0 111.275 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -63.34 -50.59 69.37 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 122.958 0.503 . . . . 0.0 110.221 171.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -52.73 -58.66 6.12 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.883 0.873 . . . . 0.0 110.912 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.72 -28.73 70.09 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.64 -63.72 1.28 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.134 0.574 . . . . 0.0 110.421 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.4 p -69.3 -31.85 70.6 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.638 0.775 . . . . 0.0 112.177 -176.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 t80 61.64 72.52 0.66 Allowed Pre-proline 0 CA--C 1.536 0.44 0 C-N-CA 125.824 1.65 . . . . 0.0 111.572 -177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -83.75 -171.84 1.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 124.058 3.172 . . . . 0.0 109.589 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -66.28 -60.94 2.3 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 172.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.4 m -149.79 139.75 21.95 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.897 1.279 . . . . 0.0 108.376 176.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -156.88 75.29 0.83 Allowed 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.3 t -134.79 134.78 53.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 124.766 1.226 . . . . 0.0 108.44 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.51 105.21 1.23 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 172.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 67.54 179.93 0.22 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.015 1.726 . . . . 0.0 111.4 -171.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.54 -66.36 2.52 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.6 m -72.48 130.14 86.26 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 170.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -49.92 -55.89 3.67 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.556 2.837 . . . . 0.0 113.193 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.023 0 O-C-N 122.31 -0.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.2 p -154.05 40.26 0.48 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.568 1.147 . . . . 0.0 109.589 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.7 p30 168.41 -31.77 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 127.847 2.459 . . . . 0.0 109.783 -175.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.0 mt 70.57 70.98 0.2 Allowed 'General case' 0 C--N 1.343 0.283 0 C-N-CA 126.218 1.807 . . . . 0.0 110.287 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -142.37 -72.27 0.32 Allowed 'General case' 0 C--N 1.341 0.231 0 C-N-CA 124.228 1.011 . . . . 0.0 109.184 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 t -64.39 -34.69 78.76 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.026 0.53 . . . . 0.0 110.78 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.3 t -66.47 -43.37 85.63 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.734 1.214 . . . . 0.0 110.656 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.8 t -64.28 -51.53 67.26 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 C-N-CA 124.146 0.978 . . . . 0.0 109.815 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.7 mt -56.9 -39.36 74.29 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.755 0.822 . . . . 0.0 111.051 176.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.87 -46.15 95.1 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 124.145 0.879 . . . . 0.0 111.694 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -41.84 91.32 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.992 0.917 . . . . 0.0 111.228 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.41 -46.78 84.81 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.341 0.657 . . . . 0.0 110.529 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.3 t -58.85 -39.45 81.37 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.317 1.047 . . . . 0.0 111.407 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -67.62 -44.64 77.51 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.489 0.716 . . . . 0.0 110.402 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -63.63 -50.56 68.86 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.893 0.877 . . . . 0.0 111.565 -175.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.11 -29.07 70.07 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.187 -0.435 . . . . 0.0 111.604 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -72.78 -42.81 63.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.988 -0.529 . . . . 0.0 111.432 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -57.88 -51.16 70.74 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 123.159 0.584 . . . . 0.0 111.008 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.44 -29.83 68.56 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -67.06 -50.71 60.91 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.622 0.769 . . . . 0.0 111.053 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -80.45 -28.04 37.78 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.26 0.624 . . . . 0.0 112.013 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.3 p90 48.34 83.42 0.22 Allowed Pre-proline 0 CA--C 1.537 0.478 0 C-N-CA 126.778 2.031 . . . . 0.0 112.007 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -82.47 66.02 8.18 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.62 2.88 . . . . 0.0 109.884 -177.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 mtm105 -85.5 71.97 10.7 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.715 1.206 . . . . 0.0 109.183 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 t -155.84 148.44 23.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.801 1.24 . . . . 0.0 109.166 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -144.27 153.55 42.15 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 124.588 1.155 . . . . 0.0 109.656 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 p -149.91 74.62 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 177.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.49 58.01 6.87 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -168.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.16 164.08 37.36 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.462 1.105 . . . . 0.0 110.15 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -71.36 96.51 0.64 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 124.388 0.994 . . . . 0.0 111.722 -173.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.5 m -65.38 -42.78 60.62 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-O 117.828 -1.082 . . . . 0.0 112.351 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.27 150.01 69.43 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.842 2.361 . . . . 0.0 112.544 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.047 0 CA-C-N 116.744 -0.207 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 111.241 0.089 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t 92.49 -38.51 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 127.479 2.312 . . . . 0.0 108.926 -157.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -59.45 -53.49 57.55 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.713 1.205 . . . . 0.0 109.814 165.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 55.5 mt 58.48 52.38 7.15 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.614 1.566 . . . . 0.0 111.896 177.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -161.04 -55.29 0.05 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.571 1.148 . . . . 0.0 108.276 173.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.0 p -68.34 -39.13 81.99 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.075 0.95 . . . . 0.0 110.47 171.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -63.36 -53.98 44.04 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.156 0.982 . . . . 0.0 110.985 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.2 p -65.0 -37.7 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 123.432 0.693 . . . . 0.0 111.246 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.0 -46.62 90.03 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.787 0.835 . . . . 0.0 110.283 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.8 97.88 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 123.604 0.621 . . . . 0.0 111.908 175.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -62.8 -55.43 26.46 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.059 0.943 . . . . 0.0 111.091 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.55 -35.85 81.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 119.461 -0.304 . . . . 0.0 111.557 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.5 t -61.02 -49.94 75.39 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 122.959 0.504 . . . . 0.0 110.228 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -59.59 -42.98 93.76 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.166 0.986 . . . . 0.0 111.157 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -64.22 -51.71 62.34 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.536 0.734 . . . . 0.0 111.159 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.97 -36.22 83.7 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.254 0.622 . . . . 0.0 111.325 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -63.79 -43.69 95.59 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.271 0.628 . . . . 0.0 111.079 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -62.29 -48.43 79.9 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.5 1.12 . . . . 0.0 110.429 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.93 -79.46 0.06 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.028 0.931 . . . . 0.0 109.568 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? 63.6 -80.25 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 126.998 2.119 . . . . 0.0 111.595 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.9 m -84.33 -51.15 7.2 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.244 1.018 . . . . 0.0 109.175 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.0 p90 44.46 69.72 2.32 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 126.528 1.931 . . . . 0.0 112.854 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.48 -46.43 7.35 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 122.606 2.204 . . . . 0.0 109.708 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -63.72 131.88 49.28 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.688 0.795 . . . . 0.0 109.08 168.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.3 t -149.31 135.05 18.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.422 1.089 . . . . 0.0 108.88 171.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 69.57 -77.65 0.05 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.394 1.877 . . . . 0.0 112.042 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.4 -34.46 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.619 1.568 . . . . 0.0 110.688 -175.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.69 -113.27 0.28 Allowed Glycine 0 C--N 1.339 0.732 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 51.89 80.1 0.09 Allowed 'General case' 0 C--N 1.341 0.223 0 C-N-CA 125.242 1.417 . . . . 0.0 111.543 174.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.12 85.79 0.08 OUTLIER Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.752 1.168 . . . . 0.0 111.374 -177.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.4 m -151.86 124.09 3.95 Favored Pre-proline 0 CA--C 1.533 0.306 0 C-N-CA 125.607 1.563 . . . . 0.0 107.312 -174.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -74.87 158.82 42.45 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.938 2.425 . . . . 0.0 111.326 -175.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 0 CA-C-N 116.616 -0.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 m -50.21 -85.25 0.0 OUTLIER 'General case' 0 C--N 1.345 0.407 0 C-N-CA 126.049 1.739 . . . . 0.0 111.201 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 179.58 148.12 0.25 Allowed 'General case' 0 C--N 1.347 0.47 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 148.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.2 mt 52.06 60.48 3.8 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 127.611 2.364 . . . . 0.0 113.023 170.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p 168.14 -61.19 0.01 OUTLIER 'General case' 0 C--N 1.338 0.077 0 C-N-CA 127.314 2.246 . . . . 0.0 106.583 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.47 HG23 ' N ' ' A' ' 7' ' ' CYS . 14.2 t -39.71 -50.44 2.32 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 128.265 2.626 . . . . 0.0 113.226 172.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.47 ' N ' HG23 ' A' ' 6' ' ' THR . 7.8 m -111.35 -7.25 14.4 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.058 1.743 . . . . 0.0 110.947 -168.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.8 t -68.64 -52.24 37.86 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 162.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.0 -41.0 74.18 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.922 1.289 . . . . 0.0 110.622 170.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.47 -50.37 60.44 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.574 0.606 . . . . 0.0 111.712 174.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -52.87 63.39 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.847 0.859 . . . . 0.0 109.717 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 mt -54.29 -38.05 65.45 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.482 1.113 . . . . 0.0 111.966 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 t -58.71 -44.15 90.29 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.857 0.463 . . . . 0.0 110.948 176.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -63.94 -35.48 80.81 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 118.964 -0.541 . . . . 0.0 112.005 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.46 -45.35 87.8 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 118.623 0.647 . . . . 0.0 110.568 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.1 mt -59.98 -42.55 94.41 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.548 0.739 . . . . 0.0 110.906 176.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -62.37 -44.77 95.68 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.015 0.526 . . . . 0.0 110.965 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -60.1 -52.67 64.35 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.65 1.18 . . . . 0.0 111.177 -175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -70.52 -30.19 66.88 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -64.14 -52.41 59.22 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 123.467 0.707 . . . . 0.0 110.539 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -75.57 -34.66 60.7 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.073 -0.489 . . . . 0.0 111.679 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.5 p90 47.82 90.41 0.08 OUTLIER Pre-proline 0 CA--C 1.538 0.519 0 C-N-CA 126.871 2.068 . . . . 0.0 112.047 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -65.09 -40.46 20.07 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.296 1.997 . . . . 0.0 110.336 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.3 ttm-85 60.96 82.17 0.17 Allowed 'General case' 0 C--N 1.341 0.237 0 C-N-CA 125.162 1.385 . . . . 0.0 111.397 167.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.6 m -88.81 49.42 1.78 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.649 0.78 . . . . 0.0 109.11 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -172.56 70.45 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.923 1.689 . . . . 0.0 107.255 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.4 t -86.84 90.13 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -176.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.03 -107.1 0.4 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.44 61.05 6.39 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 173.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.55 -92.43 0.43 Allowed Glycine 0 C--N 1.341 0.807 0 N-CA-C 107.495 -2.242 . . . . 0.0 107.495 -162.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.0 m -75.42 129.46 82.07 Favored Pre-proline 0 CA--C 1.537 0.464 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 165.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -75.33 157.32 41.46 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.35 2.7 . . . . 0.0 111.058 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.009 0 CA-C-N 116.535 -0.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 120.832 0.349 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 p -67.9 142.37 56.09 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 167.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 p30 50.31 -167.22 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.994 1.718 . . . . 0.0 112.413 -168.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -148.67 54.49 1.0 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.805 0.842 . . . . 0.0 109.514 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.444 ' HB3' ' H82' ' A' ' 33' ' ' NAG . 39.8 t -139.28 -65.5 0.48 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.488 1.115 . . . . 0.0 108.926 -178.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.7 m -75.42 -35.49 60.98 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.192 0.597 . . . . 0.0 110.088 175.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -57.4 -51.66 68.51 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.03 0.532 . . . . 0.0 110.053 170.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.72 -47.61 92.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 124.026 0.931 . . . . 0.0 110.672 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.1 tp -55.84 -43.57 77.16 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.84 0.856 . . . . 0.0 110.59 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.66 -37.65 95.05 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.884 0.754 . . . . 0.0 112.53 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -65.13 0.73 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.843 0.857 . . . . 0.0 111.424 -171.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -27.9 67.31 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.8 t -61.11 -43.94 98.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.914 0.779 . . . . 0.0 110.731 172.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -62.33 -47.51 83.95 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.297 0.639 . . . . 0.0 110.545 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -55.08 -52.12 64.23 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.077 0.551 . . . . 0.0 110.856 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.6 mt -57.85 -41.28 82.07 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.102 0.961 . . . . 0.0 111.591 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -66.67 -33.55 75.91 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.598 0.759 . . . . 0.0 112.27 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -75.14 -57.62 3.78 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.293 0.637 . . . . 0.0 110.381 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 pp -65.87 -43.28 88.81 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.727 -0.654 . . . . 0.0 111.556 -176.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 26.95 60.96 0.09 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 128.145 2.578 . . . . 0.0 114.304 171.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m 54.06 47.54 23.08 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.368 1.467 . . . . 0.0 111.943 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -109.69 -44.42 0.1 Allowed Pre-proline 0 CA--C 1.536 0.44 0 CA-C-O 117.547 -1.216 . . . . 0.0 112.041 174.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.59 -52.87 6.05 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.435 2.09 . . . . 0.0 110.628 173.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -98.92 112.09 24.3 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 167.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 p -84.63 58.79 5.11 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.902 0.881 . . . . 0.0 109.976 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.94 146.99 41.31 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.874 0.87 . . . . 0.0 110.222 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 p -143.2 57.01 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 124.334 1.054 . . . . 0.0 108.476 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.64 79.53 1.25 Allowed Glycine 0 C--N 1.341 0.817 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 175.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.11 44.67 24.85 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.143 1.377 . . . . 0.0 110.654 -167.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.61 65.47 3.95 Favored Glycine 0 C--N 1.341 0.853 0 N-CA-C 110.321 -1.112 . . . . 0.0 110.321 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.8 m -59.69 -58.2 21.21 Favored Pre-proline 0 CA--C 1.537 0.461 0 C-N-CA 124.454 1.102 . . . . 0.0 111.422 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.66 -41.19 11.61 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.159 1.906 . . . . 0.0 111.204 173.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.064 0 O-C-N 122.129 -0.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 33' ' ' NAG . . . . . 0.444 ' H82' ' HB3' ' A' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 45.7 t . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 119.833 -0.127 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.8 m 56.61 -103.9 0.2 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.505 1.522 . . . . 0.0 111.099 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -65.82 141.97 58.11 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.453 1.101 . . . . 0.0 110.894 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.8 58.55 5.13 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.448 1.099 . . . . 0.0 109.877 176.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -137.36 -62.19 0.62 Allowed 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.987 1.315 . . . . 0.0 107.925 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.5 p -63.25 -44.04 96.33 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 169.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.5 t -68.67 -45.84 70.66 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.438 1.095 . . . . 0.0 111.738 -174.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.63 -44.19 86.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 122.585 0.354 . . . . 0.0 111.027 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.21 -43.88 97.83 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.43 0.692 . . . . 0.0 110.454 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.36 -45.61 94.06 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 123.8 0.714 . . . . 0.0 111.693 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -62.52 -55.73 24.65 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.185 0.994 . . . . 0.0 110.964 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.4 -34.7 78.54 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 119.271 -0.395 . . . . 0.0 111.779 -176.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -62.58 -50.92 69.38 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 122.9 0.48 . . . . 0.0 110.365 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -56.72 -48.84 76.85 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.653 1.181 . . . . 0.0 110.826 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.45 -53.53 56.5 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.539 1.136 . . . . 0.0 110.998 -176.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.7 -40.0 90.6 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.961 0.905 . . . . 0.0 111.309 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -66.97 -34.09 76.99 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.268 0.627 . . . . 0.0 111.856 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -68.64 -58.24 4.55 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.431 0.692 . . . . 0.0 110.368 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.74 -51.35 50.22 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 119.106 -0.473 . . . . 0.0 111.078 -178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 54.44 -87.79 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 127.193 2.197 . . . . 0.0 112.655 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.8 t -63.69 -23.38 67.35 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.547 1.139 . . . . 0.0 112.088 175.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.5 t80 63.08 88.79 0.11 Allowed Pre-proline 0 CA--C 1.532 0.281 0 C-N-CA 126.273 1.829 . . . . 0.0 111.436 -178.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.62 122.29 11.54 Favored 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 123.317 2.678 . . . . 0.0 109.522 164.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -66.22 139.92 58.13 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.759 0.423 . . . . 0.0 111.104 -175.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.1 p -91.28 79.31 5.68 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.075 0.95 . . . . 0.0 109.395 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -66.33 144.19 56.72 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.401 0.68 . . . . 0.0 110.464 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.5 t -71.95 -61.87 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 123.781 0.833 . . . . 0.0 109.256 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.35 -108.77 2.58 Favored Glycine 0 C--N 1.339 0.737 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -177.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 61.1 -170.77 0.15 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.302 1.441 . . . . 0.0 112.49 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.52 -64.16 3.63 Favored Glycine 0 C--N 1.34 0.768 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.2 p -74.75 122.83 88.35 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 170.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -47.31 122.76 6.93 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 124.263 3.309 . . . . 0.0 113.361 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.024 0 O-C-N 122.425 -0.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.2 m -60.85 -47.11 87.86 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.782 0.833 . . . . 0.0 109.104 168.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.7 t -64.44 -52.44 58.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.271 1.029 . . . . 0.0 111.742 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 p -62.4 -42.1 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 118.532 0.605 . . . . 0.0 111.488 -174.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.87 -37.74 85.66 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.238 0.615 . . . . 0.0 110.966 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.67 -46.77 93.45 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.677 0.655 . . . . 0.0 111.916 175.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -69.08 -38.78 79.2 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.192 0.997 . . . . 0.0 111.643 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 mt -64.04 -42.91 96.9 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.648 0.779 . . . . 0.0 110.594 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.2 t -62.62 -44.32 96.6 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.25 0.62 . . . . 0.0 110.694 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -63.1 -44.54 95.42 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.89 0.876 . . . . 0.0 111.203 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -54.31 -50.91 66.25 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.426 1.09 . . . . 0.0 110.249 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.4 mt -59.24 -43.91 92.38 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.847 0.859 . . . . 0.0 111.502 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -55.84 -51.96 65.69 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.449 0.568 . . . . 0.0 110.724 177.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.82 -56.02 27.62 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.155 0.982 . . . . 0.0 112.004 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -176.076 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.456 -0.167 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 83.2 m -64.17 -37.58 87.99 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.514 0.726 . . . . 0.0 110.394 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.4 p -64.87 -38.52 91.24 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.429 0.692 . . . . 0.0 111.252 175.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.71 -53.41 35.26 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 123.843 0.857 . . . . 0.0 109.544 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.23 -46.3 86.16 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.718 1.207 . . . . 0.0 111.029 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.92 -46.15 95.13 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 123.7 0.667 . . . . 0.0 111.783 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -62.89 -52.63 62.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.476 1.11 . . . . 0.0 111.452 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.22 -35.14 78.96 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.061 0.391 . . . . 0.0 111.714 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -63.11 -47.28 83.5 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.861 0.464 . . . . 0.0 110.471 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -60.92 -46.36 90.98 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.073 0.949 . . . . 0.0 110.745 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -57.29 -51.15 70.54 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.309 1.044 . . . . 0.0 110.953 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.59 -40.81 93.15 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.868 0.867 . . . . 0.0 111.271 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -66.92 -31.32 71.83 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.382 0.673 . . . . 0.0 112.181 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -71.2 -60.6 2.14 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 123.296 0.638 . . . . 0.0 110.304 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 119.195 -0.431 . . . . 0.0 111.061 -176.48 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 p . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 t -63.77 -30.63 71.71 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.725 0.81 . . . . 0.0 111.205 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -59.29 -52.7 64.52 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.143 0.977 . . . . 0.0 110.503 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.9 -49.91 77.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 123.65 0.78 . . . . 0.0 110.689 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.37 -44.85 84.76 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.435 0.694 . . . . 0.0 111.027 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.06 -43.54 99.01 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.308 0.956 . . . . 0.0 111.974 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -62.83 -49.91 73.06 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.245 1.018 . . . . 0.0 110.646 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.8 mt -58.77 -48.81 79.93 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.841 0.856 . . . . 0.0 110.585 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.9 t -56.77 -43.53 80.92 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.764 0.826 . . . . 0.0 111.532 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -62.83 -47.92 81.32 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.152 0.981 . . . . 0.0 111.01 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.15 -47.81 84.48 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.997 0.919 . . . . 0.0 111.188 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.29 -46.12 90.94 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.909 0.883 . . . . 0.0 110.771 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -64.01 -38.41 90.98 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.121 0.568 . . . . 0.0 111.717 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.32 -59.23 5.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.704 0.802 . . . . 0.0 110.138 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 CA--C 1.532 0.25 0 CA-C-O 119.266 -0.397 . . . . 0.0 111.848 -178.861 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.3 p -60.43 -41.88 94.93 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.363 0.665 . . . . 0.0 110.047 170.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -67.93 -41.95 81.77 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.399 1.08 . . . . 0.0 111.096 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.88 -57.19 12.24 Favored 'Isoleucine or valine' 0 C--N 1.34 0.186 0 C-N-CA 124.164 0.986 . . . . 0.0 109.792 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -57.79 -40.24 79.38 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.774 0.829 . . . . 0.0 111.132 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.71 -49.08 82.47 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.173 0.892 . . . . 0.0 111.668 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -63.32 -45.57 90.7 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.119 0.968 . . . . 0.0 111.211 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.5 -52.85 63.43 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.397 0.679 . . . . 0.0 110.434 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 t -56.13 -46.73 79.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.036 0.934 . . . . 0.0 111.377 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -57.98 -50.29 73.91 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.667 1.187 . . . . 0.0 110.899 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -65.17 -47.97 75.14 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.666 0.786 . . . . 0.0 111.137 -175.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 mt -58.29 -43.27 87.98 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.32 1.048 . . . . 0.0 110.872 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -66.29 -39.21 89.23 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.746 0.419 . . . . 0.0 111.44 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -64.74 -49.91 68.97 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.518 0.727 . . . . 0.0 111.1 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.533 0.311 0 C-N-CA 122.644 0.378 . . . . 0.0 111.895 178.515 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 t . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.2 p -60.13 -32.62 71.18 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.088 0.555 . . . . 0.0 110.471 170.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.1 m -65.0 -54.43 30.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.437 1.095 . . . . 0.0 110.372 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 p -70.09 -41.87 79.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.718 0.807 . . . . 0.0 111.324 -175.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.78 -44.69 96.47 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.478 0.711 . . . . 0.0 110.438 174.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.27 -46.39 93.92 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.764 0.697 . . . . 0.0 111.458 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -62.36 -57.13 12.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.805 0.842 . . . . 0.0 111.581 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.14 -36.4 79.65 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.233 0.469 . . . . 0.0 111.616 -177.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.1 t -63.18 -44.24 95.95 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.615 0.766 . . . . 0.0 111.076 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -65.87 -39.5 90.77 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.81 0.844 . . . . 0.0 111.241 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -72.36 -46.28 56.1 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.911 0.885 . . . . 0.0 111.387 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.29 -31.88 72.95 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 118.342 0.519 . . . . 0.0 111.275 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -63.34 -50.59 69.37 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 122.958 0.503 . . . . 0.0 110.221 171.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -52.73 -58.66 6.12 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.883 0.873 . . . . 0.0 110.912 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -175.88 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 CA--C 1.529 0.147 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 t -64.39 -34.69 78.76 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.026 0.53 . . . . 0.0 110.78 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.3 t -66.47 -43.37 85.63 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.734 1.214 . . . . 0.0 110.656 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.8 t -64.28 -51.53 67.26 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 C-N-CA 124.146 0.978 . . . . 0.0 109.815 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.7 mt -56.9 -39.36 74.29 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.755 0.822 . . . . 0.0 111.051 176.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.87 -46.15 95.1 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 124.145 0.879 . . . . 0.0 111.694 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -41.84 91.32 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.992 0.917 . . . . 0.0 111.228 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.41 -46.78 84.81 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.341 0.657 . . . . 0.0 110.529 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.3 t -58.85 -39.45 81.37 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.317 1.047 . . . . 0.0 111.407 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -67.62 -44.64 77.51 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.489 0.716 . . . . 0.0 110.402 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -63.63 -50.56 68.86 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.893 0.877 . . . . 0.0 111.565 -175.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.11 -29.07 70.07 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.187 -0.435 . . . . 0.0 111.604 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -72.78 -42.81 63.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.988 -0.529 . . . . 0.0 111.432 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -57.88 -51.16 70.74 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 123.159 0.584 . . . . 0.0 111.008 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.491 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t . . . . . 0 N--CA 1.456 -0.127 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.0 p -68.34 -39.13 81.99 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.075 0.95 . . . . 0.0 110.47 171.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -63.36 -53.98 44.04 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.156 0.982 . . . . 0.0 110.985 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.2 p -65.0 -37.7 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 123.432 0.693 . . . . 0.0 111.246 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.0 -46.62 90.03 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.787 0.835 . . . . 0.0 110.283 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.8 97.88 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 123.604 0.621 . . . . 0.0 111.908 175.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -62.8 -55.43 26.46 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.059 0.943 . . . . 0.0 111.091 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.55 -35.85 81.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 119.461 -0.304 . . . . 0.0 111.557 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.5 t -61.02 -49.94 75.39 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 122.959 0.504 . . . . 0.0 110.228 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -59.59 -42.98 93.76 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.166 0.986 . . . . 0.0 111.157 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -64.22 -51.71 62.34 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.536 0.734 . . . . 0.0 111.159 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.97 -36.22 83.7 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.254 0.622 . . . . 0.0 111.325 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -63.79 -43.69 95.59 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.271 0.628 . . . . 0.0 111.079 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -62.29 -48.43 79.9 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.5 1.12 . . . . 0.0 110.429 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 CA--C 1.532 0.288 0 C-N-CA 124.028 0.931 . . . . 0.0 109.568 179.047 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p . . . . . 0 C--O 1.228 -0.07 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.47 HG23 ' N ' ' A' ' 7' ' ' CYS . 14.2 t -39.71 -50.44 2.32 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 128.265 2.626 . . . . 0.0 113.226 172.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.47 ' N ' HG23 ' A' ' 6' ' ' THR . 7.8 m -111.35 -7.25 14.4 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.058 1.743 . . . . 0.0 110.947 -168.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.8 t -68.64 -52.24 37.86 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 162.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.0 -41.0 74.18 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.922 1.289 . . . . 0.0 110.622 170.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.47 -50.37 60.44 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.574 0.606 . . . . 0.0 111.712 174.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -52.87 63.39 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.847 0.859 . . . . 0.0 109.717 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 mt -54.29 -38.05 65.45 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.482 1.113 . . . . 0.0 111.966 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 t -58.71 -44.15 90.29 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.857 0.463 . . . . 0.0 110.948 176.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -63.94 -35.48 80.81 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 118.964 -0.541 . . . . 0.0 112.005 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.46 -45.35 87.8 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 118.623 0.647 . . . . 0.0 110.568 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.1 mt -59.98 -42.55 94.41 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.548 0.739 . . . . 0.0 110.906 176.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -62.37 -44.77 95.68 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.015 0.526 . . . . 0.0 110.965 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -60.1 -52.67 64.35 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.65 1.18 . . . . 0.0 111.177 -175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.532 0.283 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.806 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 t . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.7 m -75.42 -35.49 60.98 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.192 0.597 . . . . 0.0 110.088 175.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -57.4 -51.66 68.51 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.03 0.532 . . . . 0.0 110.053 170.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.72 -47.61 92.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 124.026 0.931 . . . . 0.0 110.672 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.1 tp -55.84 -43.57 77.16 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.84 0.856 . . . . 0.0 110.59 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.66 -37.65 95.05 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.884 0.754 . . . . 0.0 112.53 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -65.13 0.73 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.843 0.857 . . . . 0.0 111.424 -171.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -27.9 67.31 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.8 t -61.11 -43.94 98.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.914 0.779 . . . . 0.0 110.731 172.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -62.33 -47.51 83.95 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.297 0.639 . . . . 0.0 110.545 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -55.08 -52.12 64.23 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.077 0.551 . . . . 0.0 110.856 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.6 mt -57.85 -41.28 82.07 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.102 0.961 . . . . 0.0 111.591 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -66.67 -33.55 75.91 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.598 0.759 . . . . 0.0 112.27 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -75.14 -57.62 3.78 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.293 0.637 . . . . 0.0 110.381 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 pp . . . . . 0 CA--C 1.531 0.243 0 CA-C-O 118.727 -0.654 . . . . 0.0 111.556 -176.591 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.5 p -63.25 -44.04 96.33 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 169.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.5 t -68.67 -45.84 70.66 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.438 1.095 . . . . 0.0 111.738 -174.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.63 -44.19 86.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 122.585 0.354 . . . . 0.0 111.027 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.21 -43.88 97.83 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.43 0.692 . . . . 0.0 110.454 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.36 -45.61 94.06 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 123.8 0.714 . . . . 0.0 111.693 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -62.52 -55.73 24.65 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.185 0.994 . . . . 0.0 110.964 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.4 -34.7 78.54 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 119.271 -0.395 . . . . 0.0 111.779 -176.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -62.58 -50.92 69.38 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 122.9 0.48 . . . . 0.0 110.365 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -56.72 -48.84 76.85 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.653 1.181 . . . . 0.0 110.826 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.45 -53.53 56.5 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.539 1.136 . . . . 0.0 110.998 -176.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.7 -40.0 90.6 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.961 0.905 . . . . 0.0 111.309 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -66.97 -34.09 76.99 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.268 0.627 . . . . 0.0 111.856 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -68.64 -58.24 4.55 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.431 0.692 . . . . 0.0 110.368 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 pp . . . . . 0 CA--C 1.532 0.286 0 CA-C-O 119.106 -0.473 . . . . 0.0 111.078 -178.838 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 53.9 m . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -69.4 -34.39 74.42 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.126 0.97 . . . . 0.0 110.633 169.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -55.17 -70.95 0.09 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.03 1.332 . . . . 0.0 111.854 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.8 mt 51.94 42.11 30.02 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.494 1.118 . . . . 0.0 110.131 -165.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.9 t -158.68 -72.99 0.08 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.073 1.349 . . . . 0.0 107.64 -173.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.2 m -60.85 -47.11 87.86 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.782 0.833 . . . . 0.0 109.104 168.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.7 t -64.44 -52.44 58.04 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.271 1.029 . . . . 0.0 111.742 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 p -62.4 -42.1 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 CA-C-N 118.532 0.605 . . . . 0.0 111.488 -174.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.87 -37.74 85.66 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.238 0.615 . . . . 0.0 110.966 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.67 -46.77 93.45 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 123.677 0.655 . . . . 0.0 111.916 175.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -69.08 -38.78 79.2 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.192 0.997 . . . . 0.0 111.643 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 mt -64.04 -42.91 96.9 Favored 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.648 0.779 . . . . 0.0 110.594 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.2 t -62.62 -44.32 96.6 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.25 0.62 . . . . 0.0 110.694 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -63.1 -44.54 95.42 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.89 0.876 . . . . 0.0 111.203 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -54.31 -50.91 66.25 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.426 1.09 . . . . 0.0 110.249 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.4 mt -59.24 -43.91 92.38 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.847 0.859 . . . . 0.0 111.502 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -55.84 -51.96 65.69 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.449 0.568 . . . . 0.0 110.724 177.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -58.82 -56.02 27.62 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.155 0.982 . . . . 0.0 112.004 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.92 -23.82 66.02 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -176.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -78.65 -49.33 13.37 Favored 'General case' 0 C--N 1.342 0.268 0 C-N-CA 123.053 0.541 . . . . 0.0 110.577 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 98.2 m -58.01 -50.7 72.51 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.179 0.991 . . . . 0.0 110.79 -178.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -126.67 139.39 34.7 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 125.167 1.387 . . . . 0.0 108.458 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -46.82 -60.28 0.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 124.308 3.339 . . . . 0.0 113.06 174.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -160.55 103.37 1.38 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.036 0.934 . . . . 0.0 108.988 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 20.8 m -148.93 68.5 1.06 Allowed 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 106.905 -1.517 . . . . 0.0 106.905 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 64.3 67.94 0.57 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.296 1.438 . . . . 0.0 110.711 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.0 t -69.34 142.35 16.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 171.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.58 -77.36 0.29 Allowed Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -176.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 52.98 40.29 30.86 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.047 1.339 . . . . 0.0 113.022 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -87.99 57.64 4.32 Favored Glycine 0 C--N 1.34 0.778 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.2 p -128.7 74.13 80.66 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 125.015 1.326 . . . . 0.0 109.495 -169.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.22 -44.13 1.92 Allowed 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 123.218 2.612 . . . . 0.0 111.282 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.016 0 O-C-N 122.156 -0.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 92.9 m . . . . . 0 N--CA 1.473 0.703 0 CA-C-O 120.629 0.252 . . . . 0.0 111.489 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.2 m -88.8 45.89 1.33 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.111 0.964 . . . . 0.0 109.451 172.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -179.19 -46.08 0.01 OUTLIER 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.637 1.175 . . . . 0.0 111.325 -171.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.5 mt 58.31 48.07 13.05 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.801 1.24 . . . . 0.0 110.019 -170.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 t -162.49 -63.33 0.05 OUTLIER 'General case' 0 C--N 1.341 0.21 0 C-N-CA 123.902 0.881 . . . . 0.0 109.311 -178.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 83.2 m -64.17 -37.58 87.99 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.514 0.726 . . . . 0.0 110.394 177.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.4 p -64.87 -38.52 91.24 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.429 0.692 . . . . 0.0 111.252 175.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.4 t -66.71 -53.41 35.26 Favored 'Isoleucine or valine' 0 C--N 1.341 0.199 0 C-N-CA 123.843 0.857 . . . . 0.0 109.544 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.23 -46.3 86.16 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.718 1.207 . . . . 0.0 111.029 178.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.92 -46.15 95.13 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 123.7 0.667 . . . . 0.0 111.783 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -62.89 -52.63 62.35 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.476 1.11 . . . . 0.0 111.452 -177.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.22 -35.14 78.96 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.061 0.391 . . . . 0.0 111.714 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -63.11 -47.28 83.5 Favored 'General case' 0 C--N 1.341 0.215 0 C-N-CA 122.861 0.464 . . . . 0.0 110.471 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -60.92 -46.36 90.98 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.073 0.949 . . . . 0.0 110.745 177.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -57.29 -51.15 70.54 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.309 1.044 . . . . 0.0 110.953 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.59 -40.81 93.15 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.868 0.867 . . . . 0.0 111.271 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -66.92 -31.32 71.83 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.382 0.673 . . . . 0.0 112.181 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -71.2 -60.6 2.14 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 123.296 0.638 . . . . 0.0 110.304 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.1 pp -66.42 -52.25 48.53 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-O 119.195 -0.431 . . . . 0.0 111.061 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 53.37 -84.57 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 127.562 2.345 . . . . 0.0 114.08 168.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 80.8 p -86.0 -0.77 56.34 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.137 1.375 . . . . 0.0 112.477 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -57.38 -40.29 83.44 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 124.301 1.04 . . . . 0.0 113.609 -177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -64.95 -174.79 0.33 Allowed 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.268 2.645 . . . . 0.0 112.664 174.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.0 mmt-85 67.71 10.8 8.02 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.66 1.584 . . . . 0.0 112.432 -175.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.1 t -161.67 -51.4 0.04 OUTLIER 'General case' 0 C--N 1.343 0.284 0 C-N-CA 124.166 0.987 . . . . 0.0 110.323 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -82.01 -68.06 0.73 Allowed 'General case' 0 C--N 1.341 0.233 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 58.2 t -77.33 -44.07 30.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 123.897 0.879 . . . . 0.0 109.409 177.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.11 -88.72 1.48 Allowed Glycine 0 C--N 1.339 0.737 0 N-CA-C 108.506 -1.838 . . . . 0.0 108.506 -173.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 70.79 -66.73 0.28 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 126.699 2.0 . . . . 0.0 112.389 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.87 49.71 57.32 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 -174.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.9 m -140.13 89.12 11.22 Favored Pre-proline 0 CA--C 1.533 0.304 0 C-N-CA 124.71 1.204 . . . . 0.0 108.228 -174.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -54.55 -49.48 16.68 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 124.204 3.269 . . . . 0.0 112.713 178.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.046 0 O-C-N 122.408 -0.183 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 36.2 t . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 120.914 0.388 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 m -68.53 -58.89 3.62 Favored 'General case' 0 C--N 1.34 0.17 0 C-N-CA 123.568 0.747 . . . . 0.0 109.096 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -78.05 176.67 8.96 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.216 1.406 . . . . 0.0 109.959 168.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.02 47.79 2.43 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.761 1.225 . . . . 0.0 109.608 176.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 p -114.9 -82.81 0.61 Allowed 'General case' 0 C--N 1.342 0.264 0 C-N-CA 124.482 1.113 . . . . 0.0 109.351 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.6 t -63.77 -30.63 71.71 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.725 0.81 . . . . 0.0 111.205 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 33.3 t -59.29 -52.7 64.52 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.143 0.977 . . . . 0.0 110.503 173.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.9 -49.91 77.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 123.65 0.78 . . . . 0.0 110.689 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.7 mt -57.37 -44.85 84.76 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.435 0.694 . . . . 0.0 111.027 178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.06 -43.54 99.01 Favored Glycine 0 CA--C 1.528 0.903 0 C-N-CA 124.308 0.956 . . . . 0.0 111.974 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -62.83 -49.91 73.06 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.245 1.018 . . . . 0.0 110.646 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.8 mt -58.77 -48.81 79.93 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 123.841 0.856 . . . . 0.0 110.585 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.9 t -56.77 -43.53 80.92 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.764 0.826 . . . . 0.0 111.532 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -62.83 -47.92 81.32 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.152 0.981 . . . . 0.0 111.01 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.15 -47.81 84.48 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 123.997 0.919 . . . . 0.0 111.188 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.29 -46.12 90.94 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.909 0.883 . . . . 0.0 110.771 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -64.01 -38.41 90.98 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.121 0.568 . . . . 0.0 111.717 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.32 -59.23 5.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.704 0.802 . . . . 0.0 110.138 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.14 -33.35 75.58 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 119.266 -0.397 . . . . 0.0 111.848 -178.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -59.2 -50.78 72.7 Favored 'General case' 0 C--N 1.341 0.223 0 C-N-CA 123.414 0.686 . . . . 0.0 110.063 173.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.1 m -88.28 44.27 1.19 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.984 0.914 . . . . 0.0 109.632 176.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 65.45 127.32 0.03 OUTLIER Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 127.345 2.258 . . . . 0.0 112.448 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -61.2 -42.81 32.86 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.194 1.93 . . . . 0.0 109.53 172.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.0 mmm-85 -79.24 89.32 4.9 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 163.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 46.1 p -61.48 128.05 34.44 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 173.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.8 t70 59.7 78.31 0.28 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.559 1.143 . . . . 0.0 108.444 -161.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.74 137.06 25.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 C-N-CA 124.11 0.964 . . . . 0.0 112.677 -166.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -119.61 -50.48 0.29 Allowed Glycine 0 CA--C 1.527 0.806 0 N-CA-C 108.657 -1.777 . . . . 0.0 108.657 169.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -154.23 79.52 1.11 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.497 1.119 . . . . 0.0 108.961 176.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.39 91.04 0.09 OUTLIER Glycine 0 C--N 1.34 0.758 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.6 t -62.21 150.33 84.62 Favored Pre-proline 0 CA--C 1.54 0.574 0 C-N-CA 124.689 1.196 . . . . 0.0 110.463 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -52.11 -49.34 17.66 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 123.321 2.68 . . . . 0.0 113.692 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.032 0 O-C-N 122.441 -0.162 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 61.4 m . . . . . 0 N--CA 1.472 0.663 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t 76.47 -49.87 0.58 Allowed 'General case' 0 C--N 1.343 0.308 0 C-N-CA 126.548 1.939 . . . . 0.0 111.109 -169.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -144.6 141.08 29.16 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 125.157 1.383 . . . . 0.0 109.189 176.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.04 68.55 10.34 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.282 1.033 . . . . 0.0 109.487 -178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.9 t -151.94 -63.05 0.17 Allowed 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.669 1.188 . . . . 0.0 108.021 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 74.3 p -60.43 -41.88 94.93 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.363 0.665 . . . . 0.0 110.047 170.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.0 t -67.93 -41.95 81.77 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.399 1.08 . . . . 0.0 111.096 -178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.88 -57.19 12.24 Favored 'Isoleucine or valine' 0 C--N 1.34 0.186 0 C-N-CA 124.164 0.986 . . . . 0.0 109.792 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -57.79 -40.24 79.38 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.774 0.829 . . . . 0.0 111.132 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.71 -49.08 82.47 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.173 0.892 . . . . 0.0 111.668 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -63.32 -45.57 90.7 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.119 0.968 . . . . 0.0 111.211 -178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.0 mt -60.5 -52.85 63.43 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 123.397 0.679 . . . . 0.0 110.434 178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.6 t -56.13 -46.73 79.09 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.036 0.934 . . . . 0.0 111.377 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.7 tm0? -57.98 -50.29 73.91 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 124.667 1.187 . . . . 0.0 110.899 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -65.17 -47.97 75.14 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.666 0.786 . . . . 0.0 111.137 -175.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.1 mt -58.29 -43.27 87.98 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.32 1.048 . . . . 0.0 110.872 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -66.29 -39.21 89.23 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.746 0.419 . . . . 0.0 111.44 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -64.74 -49.91 68.97 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 123.518 0.727 . . . . 0.0 111.1 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.79 -31.51 70.58 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.644 0.378 . . . . 0.0 111.895 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 tm0? -64.03 -50.34 68.83 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.866 0.866 . . . . 0.0 110.297 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.3 m -60.47 -51.03 71.21 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.507 1.123 . . . . 0.0 110.203 177.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 59.1 t80 55.68 70.58 1.49 Allowed Pre-proline 0 CA--C 1.535 0.383 0 C-N-CA 125.626 1.57 . . . . 0.0 110.415 -174.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -74.95 167.6 26.7 Favored 'Trans proline' 0 N--CA 1.454 -0.81 0 C-N-CA 123.132 2.555 . . . . 0.0 111.036 -178.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -133.25 23.79 4.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.754 1.222 . . . . 0.0 111.036 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.9 m -143.69 65.92 1.3 Allowed 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 107.242 -1.392 . . . . 0.0 107.242 177.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.1 t70 53.38 -107.67 0.37 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.41 1.484 . . . . 0.0 109.939 -175.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.19 85.79 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 169.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -77.72 -171.13 36.33 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.651 0.643 . . . . 0.0 111.841 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.85 128.77 37.46 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.695 0.798 . . . . 0.0 110.108 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.64 73.82 2.35 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.358 0.98 . . . . 0.0 111.608 -173.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.4 m 58.71 73.71 0.68 Allowed Pre-proline 0 CA--C 1.536 0.433 0 C-N-CA 125.483 1.513 . . . . 0.0 110.261 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -71.7 -44.32 1.05 Allowed 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 123.233 2.622 . . . . 0.0 111.337 -177.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.037 0 O-C-N 122.202 -0.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.5 m -140.47 -48.81 0.44 Allowed 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.885 1.274 . . . . 0.0 109.969 175.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -66.79 -42.18 86.4 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.491 1.117 . . . . 0.0 112.404 -172.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.5 mt 59.47 51.81 6.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 125.272 1.429 . . . . 0.0 109.232 -167.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.4 t -158.43 -64.54 0.08 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.7 1.2 . . . . 0.0 108.416 -178.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.2 p -60.13 -32.62 71.18 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.088 0.555 . . . . 0.0 110.471 170.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.1 m -65.0 -54.43 30.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.437 1.095 . . . . 0.0 110.372 -178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 p -70.09 -41.87 79.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 123.718 0.807 . . . . 0.0 111.324 -175.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.8 mt -60.78 -44.69 96.47 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.478 0.711 . . . . 0.0 110.438 174.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.27 -46.39 93.92 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 123.764 0.697 . . . . 0.0 111.458 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -62.36 -57.13 12.43 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.805 0.842 . . . . 0.0 111.581 -177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -61.14 -36.4 79.65 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 118.233 0.469 . . . . 0.0 111.616 -177.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 41.1 t -63.18 -44.24 95.95 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.615 0.766 . . . . 0.0 111.076 176.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -65.87 -39.5 90.77 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.81 0.844 . . . . 0.0 111.241 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -72.36 -46.28 56.1 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.911 0.885 . . . . 0.0 111.387 -176.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.29 -31.88 72.95 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 118.342 0.519 . . . . 0.0 111.275 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -63.34 -50.59 69.37 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 122.958 0.503 . . . . 0.0 110.221 171.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -52.73 -58.66 6.12 Favored 'General case' 0 C--N 1.342 0.248 0 C-N-CA 123.883 0.873 . . . . 0.0 110.912 -177.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.72 -28.73 70.09 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -175.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.64 -63.72 1.28 Allowed 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.134 0.574 . . . . 0.0 110.421 -178.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.4 p -69.3 -31.85 70.6 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.638 0.775 . . . . 0.0 112.177 -176.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 49.9 t80 61.64 72.52 0.66 Allowed Pre-proline 0 CA--C 1.536 0.44 0 C-N-CA 125.824 1.65 . . . . 0.0 111.572 -177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -83.75 -171.84 1.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 124.058 3.172 . . . . 0.0 109.589 174.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -66.28 -60.94 2.3 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 172.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 87.4 m -149.79 139.75 21.95 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.897 1.279 . . . . 0.0 108.376 176.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -156.88 75.29 0.83 Allowed 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 46.3 t -134.79 134.78 53.73 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 124.766 1.226 . . . . 0.0 108.44 -178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.51 105.21 1.23 Allowed Glycine 0 CA--C 1.526 0.779 0 N-CA-C 109.13 -1.588 . . . . 0.0 109.13 172.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 67.54 179.93 0.22 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.015 1.726 . . . . 0.0 111.4 -171.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.54 -66.36 2.52 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.6 m -72.48 130.14 86.26 Favored Pre-proline 0 CA--C 1.535 0.397 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 170.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -49.92 -55.89 3.67 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.556 2.837 . . . . 0.0 113.193 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.023 0 O-C-N 122.31 -0.244 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.205 -0.294 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.2 p -154.05 40.26 0.48 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.568 1.147 . . . . 0.0 109.589 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.7 p30 168.41 -31.77 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 127.847 2.459 . . . . 0.0 109.783 -175.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.0 mt 70.57 70.98 0.2 Allowed 'General case' 0 C--N 1.343 0.283 0 C-N-CA 126.218 1.807 . . . . 0.0 110.287 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.2 m -142.37 -72.27 0.32 Allowed 'General case' 0 C--N 1.341 0.231 0 C-N-CA 124.228 1.011 . . . . 0.0 109.184 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 t -64.39 -34.69 78.76 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.026 0.53 . . . . 0.0 110.78 176.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.3 t -66.47 -43.37 85.63 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 124.734 1.214 . . . . 0.0 110.656 178.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.8 t -64.28 -51.53 67.26 Favored 'Isoleucine or valine' 0 C--N 1.341 0.21 0 C-N-CA 124.146 0.978 . . . . 0.0 109.815 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.7 mt -56.9 -39.36 74.29 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.755 0.822 . . . . 0.0 111.051 176.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.87 -46.15 95.1 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 124.145 0.879 . . . . 0.0 111.694 175.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -41.84 91.32 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.992 0.917 . . . . 0.0 111.228 -179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.41 -46.78 84.81 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.341 0.657 . . . . 0.0 110.529 176.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.3 t -58.85 -39.45 81.37 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.317 1.047 . . . . 0.0 111.407 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -67.62 -44.64 77.51 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.489 0.716 . . . . 0.0 110.402 176.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -63.63 -50.56 68.86 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.893 0.877 . . . . 0.0 111.565 -175.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.11 -29.07 70.07 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.187 -0.435 . . . . 0.0 111.604 177.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -72.78 -42.81 63.55 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.988 -0.529 . . . . 0.0 111.432 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -57.88 -51.16 70.74 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 123.159 0.584 . . . . 0.0 111.008 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.44 -29.83 68.56 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -67.06 -50.71 60.91 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.622 0.769 . . . . 0.0 111.053 178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 t -80.45 -28.04 37.78 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.26 0.624 . . . . 0.0 112.013 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.3 p90 48.34 83.42 0.22 Allowed Pre-proline 0 CA--C 1.537 0.478 0 C-N-CA 126.778 2.031 . . . . 0.0 112.007 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -82.47 66.02 8.18 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.62 2.88 . . . . 0.0 109.884 -177.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.8 mtm105 -85.5 71.97 10.7 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.715 1.206 . . . . 0.0 109.183 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 t -155.84 148.44 23.94 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.801 1.24 . . . . 0.0 109.166 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -144.27 153.55 42.15 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 124.588 1.155 . . . . 0.0 109.656 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.6 p -149.91 74.62 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 177.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.49 58.01 6.87 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -168.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -151.16 164.08 37.36 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 124.462 1.105 . . . . 0.0 110.15 -176.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -71.36 96.51 0.64 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 124.388 0.994 . . . . 0.0 111.722 -173.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.5 m -65.38 -42.78 60.62 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-O 117.828 -1.082 . . . . 0.0 112.351 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.27 150.01 69.43 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.842 2.361 . . . . 0.0 112.544 178.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.047 0 CA-C-N 116.744 -0.207 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.475 0.815 0 N-CA-C 111.241 0.089 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 t 92.49 -38.51 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 127.479 2.312 . . . . 0.0 108.926 -157.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -59.45 -53.49 57.55 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.713 1.205 . . . . 0.0 109.814 165.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 55.5 mt 58.48 52.38 7.15 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.614 1.566 . . . . 0.0 111.896 177.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.4 t -161.04 -55.29 0.05 Allowed 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.571 1.148 . . . . 0.0 108.276 173.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.0 p -68.34 -39.13 81.99 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.075 0.95 . . . . 0.0 110.47 171.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -63.36 -53.98 44.04 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 124.156 0.982 . . . . 0.0 110.985 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.2 p -65.0 -37.7 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 123.432 0.693 . . . . 0.0 111.246 -178.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 52.9 tp -61.0 -46.62 90.03 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.787 0.835 . . . . 0.0 110.283 174.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.55 -42.8 97.88 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 123.604 0.621 . . . . 0.0 111.908 175.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -62.8 -55.43 26.46 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.059 0.943 . . . . 0.0 111.091 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 pp -66.55 -35.85 81.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-O 119.461 -0.304 . . . . 0.0 111.557 -178.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.5 t -61.02 -49.94 75.39 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 122.959 0.504 . . . . 0.0 110.228 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -59.59 -42.98 93.76 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.166 0.986 . . . . 0.0 111.157 177.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -64.22 -51.71 62.34 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.536 0.734 . . . . 0.0 111.159 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.97 -36.22 83.7 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.254 0.622 . . . . 0.0 111.325 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -63.79 -43.69 95.59 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.271 0.628 . . . . 0.0 111.079 175.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -62.29 -48.43 79.9 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.5 1.12 . . . . 0.0 110.429 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.93 -79.46 0.06 Allowed 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.028 0.931 . . . . 0.0 109.568 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? 63.6 -80.25 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 126.998 2.119 . . . . 0.0 111.595 176.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 61.9 m -84.33 -51.15 7.2 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.244 1.018 . . . . 0.0 109.175 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 45.0 p90 44.46 69.72 2.32 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 126.528 1.931 . . . . 0.0 112.854 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -64.48 -46.43 7.35 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 122.606 2.204 . . . . 0.0 109.708 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -63.72 131.88 49.28 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.688 0.795 . . . . 0.0 109.08 168.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.3 t -149.31 135.05 18.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 124.422 1.089 . . . . 0.0 108.88 171.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 69.57 -77.65 0.05 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 126.394 1.877 . . . . 0.0 112.042 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.4 -34.46 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 125.619 1.568 . . . . 0.0 110.688 -175.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -167.69 -113.27 0.28 Allowed Glycine 0 C--N 1.339 0.732 0 N-CA-C 108.487 -1.845 . . . . 0.0 108.487 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 51.89 80.1 0.09 Allowed 'General case' 0 C--N 1.341 0.223 0 C-N-CA 125.242 1.417 . . . . 0.0 111.543 174.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.12 85.79 0.08 OUTLIER Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.752 1.168 . . . . 0.0 111.374 -177.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.4 m -151.86 124.09 3.95 Favored Pre-proline 0 CA--C 1.533 0.306 0 C-N-CA 125.607 1.563 . . . . 0.0 107.312 -174.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -74.87 158.82 42.45 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.938 2.425 . . . . 0.0 111.326 -175.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.046 0 CA-C-N 116.616 -0.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 110.471 -0.196 . . . . 0.0 110.471 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 m -50.21 -85.25 0.0 OUTLIER 'General case' 0 C--N 1.345 0.407 0 C-N-CA 126.049 1.739 . . . . 0.0 111.201 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 179.58 148.12 0.25 Allowed 'General case' 0 C--N 1.347 0.47 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 148.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.2 mt 52.06 60.48 3.8 Favored 'General case' 0 C--N 1.343 0.314 0 C-N-CA 127.611 2.364 . . . . 0.0 113.023 170.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p 168.14 -61.19 0.01 OUTLIER 'General case' 0 C--N 1.338 0.077 0 C-N-CA 127.314 2.246 . . . . 0.0 106.583 177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.47 HG23 ' N ' ' A' ' 7' ' ' CYS . 14.2 t -39.71 -50.44 2.32 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 128.265 2.626 . . . . 0.0 113.226 172.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.47 ' N ' HG23 ' A' ' 6' ' ' THR . 7.8 m -111.35 -7.25 14.4 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 126.058 1.743 . . . . 0.0 110.947 -168.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.8 t -68.64 -52.24 37.86 Favored 'Isoleucine or valine' 0 C--N 1.343 0.284 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 162.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.1 mt -56.0 -41.0 74.18 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.922 1.289 . . . . 0.0 110.622 170.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -55.47 -50.37 60.44 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 123.574 0.606 . . . . 0.0 111.712 174.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -52.87 63.39 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.847 0.859 . . . . 0.0 109.717 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.8 mt -54.29 -38.05 65.45 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.482 1.113 . . . . 0.0 111.966 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.3 t -58.71 -44.15 90.29 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.857 0.463 . . . . 0.0 110.948 176.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -63.94 -35.48 80.81 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 118.964 -0.541 . . . . 0.0 112.005 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -64.46 -45.35 87.8 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-N 118.623 0.647 . . . . 0.0 110.568 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.1 mt -59.98 -42.55 94.41 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.548 0.739 . . . . 0.0 110.906 176.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -62.37 -44.77 95.68 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.015 0.526 . . . . 0.0 110.965 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -60.1 -52.67 64.35 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 124.65 1.18 . . . . 0.0 111.177 -175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -70.52 -30.19 66.88 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -64.14 -52.41 59.22 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 123.467 0.707 . . . . 0.0 110.539 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.0 t -75.57 -34.66 60.7 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.073 -0.489 . . . . 0.0 111.679 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 44.5 p90 47.82 90.41 0.08 OUTLIER Pre-proline 0 CA--C 1.538 0.519 0 C-N-CA 126.871 2.068 . . . . 0.0 112.047 -174.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -65.09 -40.46 20.07 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 122.296 1.997 . . . . 0.0 110.336 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 56.3 ttm-85 60.96 82.17 0.17 Allowed 'General case' 0 C--N 1.341 0.237 0 C-N-CA 125.162 1.385 . . . . 0.0 111.397 167.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.6 m -88.81 49.42 1.78 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.649 0.78 . . . . 0.0 109.11 176.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -172.56 70.45 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.923 1.689 . . . . 0.0 107.255 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.4 t -86.84 90.13 3.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -176.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.03 -107.1 0.4 Allowed Glycine 0 CA--C 1.527 0.787 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.44 61.05 6.39 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 108.382 -0.97 . . . . 0.0 108.382 173.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.55 -92.43 0.43 Allowed Glycine 0 C--N 1.341 0.807 0 N-CA-C 107.495 -2.242 . . . . 0.0 107.495 -162.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 97.0 m -75.42 129.46 82.07 Favored Pre-proline 0 CA--C 1.537 0.464 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 165.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -75.33 157.32 41.46 Favored 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 123.35 2.7 . . . . 0.0 111.058 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.009 0 CA-C-N 116.535 -0.302 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 120.832 0.349 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.6 p -67.9 142.37 56.09 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 167.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 p30 50.31 -167.22 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.994 1.718 . . . . 0.0 112.413 -168.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -148.67 54.49 1.0 Allowed 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.805 0.842 . . . . 0.0 109.514 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.444 ' HB3' ' H82' ' A' ' 33' ' ' NAG . 39.8 t -139.28 -65.5 0.48 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.488 1.115 . . . . 0.0 108.926 -178.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.7 m -75.42 -35.49 60.98 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.192 0.597 . . . . 0.0 110.088 175.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.1 t -57.4 -51.66 68.51 Favored 'General case' 0 C--N 1.343 0.319 0 C-N-CA 123.03 0.532 . . . . 0.0 110.053 170.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.72 -47.61 92.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 124.026 0.931 . . . . 0.0 110.672 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.1 tp -55.84 -43.57 77.16 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 123.84 0.856 . . . . 0.0 110.59 176.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.66 -37.65 95.05 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 123.884 0.754 . . . . 0.0 112.53 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -65.13 0.73 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.843 0.857 . . . . 0.0 111.424 -171.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -27.9 67.31 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.8 t -61.11 -43.94 98.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.914 0.779 . . . . 0.0 110.731 172.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -62.33 -47.51 83.95 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.297 0.639 . . . . 0.0 110.545 177.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -55.08 -52.12 64.23 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.077 0.551 . . . . 0.0 110.856 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.6 mt -57.85 -41.28 82.07 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.102 0.961 . . . . 0.0 111.591 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -66.67 -33.55 75.91 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.598 0.759 . . . . 0.0 112.27 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -75.14 -57.62 3.78 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.293 0.637 . . . . 0.0 110.381 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.3 pp -65.87 -43.28 88.81 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 118.727 -0.654 . . . . 0.0 111.556 -176.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 26.95 60.96 0.09 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 128.145 2.578 . . . . 0.0 114.304 171.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.0 m 54.06 47.54 23.08 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.368 1.467 . . . . 0.0 111.943 175.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -109.69 -44.42 0.1 Allowed Pre-proline 0 CA--C 1.536 0.44 0 CA-C-O 117.547 -1.216 . . . . 0.0 112.041 174.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.59 -52.87 6.05 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.435 2.09 . . . . 0.0 110.628 173.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -98.92 112.09 24.3 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 107.195 -1.409 . . . . 0.0 107.195 167.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 p -84.63 58.79 5.11 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.902 0.881 . . . . 0.0 109.976 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.94 146.99 41.31 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.874 0.87 . . . . 0.0 110.222 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.0 p -143.2 57.01 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 124.334 1.054 . . . . 0.0 108.476 174.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.64 79.53 1.25 Allowed Glycine 0 C--N 1.341 0.817 0 N-CA-C 109.15 -1.58 . . . . 0.0 109.15 175.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 56.11 44.67 24.85 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.143 1.377 . . . . 0.0 110.654 -167.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -85.61 65.47 3.95 Favored Glycine 0 C--N 1.341 0.853 0 N-CA-C 110.321 -1.112 . . . . 0.0 110.321 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.8 m -59.69 -58.2 21.21 Favored Pre-proline 0 CA--C 1.537 0.461 0 C-N-CA 124.454 1.102 . . . . 0.0 111.422 179.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.66 -41.19 11.61 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 122.159 1.906 . . . . 0.0 111.204 173.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.064 0 O-C-N 122.129 -0.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' NAG . . . . . 0.444 ' H82' ' HB3' ' A' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 45.7 t . . . . . 0 N--CA 1.473 0.684 0 CA-C-O 119.833 -0.127 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.8 m 56.61 -103.9 0.2 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.505 1.522 . . . . 0.0 111.099 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -65.82 141.97 58.11 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.453 1.101 . . . . 0.0 110.894 178.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.8 58.55 5.13 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.448 1.099 . . . . 0.0 109.877 176.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 t -137.36 -62.19 0.62 Allowed 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.987 1.315 . . . . 0.0 107.925 176.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.5 p -63.25 -44.04 96.33 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 169.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 31.5 t -68.67 -45.84 70.66 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.438 1.095 . . . . 0.0 111.738 -174.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.6 p -67.63 -44.19 86.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 C-N-CA 122.585 0.354 . . . . 0.0 111.027 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.21 -43.88 97.83 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 123.43 0.692 . . . . 0.0 110.454 175.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.36 -45.61 94.06 Favored Glycine 0 CA--C 1.53 0.995 0 C-N-CA 123.8 0.714 . . . . 0.0 111.693 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -62.52 -55.73 24.65 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.185 0.994 . . . . 0.0 110.964 -177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.4 -34.7 78.54 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 119.271 -0.395 . . . . 0.0 111.779 -176.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.6 t -62.58 -50.92 69.38 Favored 'General case' 0 C--N 1.34 0.193 0 C-N-CA 122.9 0.48 . . . . 0.0 110.365 176.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -56.72 -48.84 76.85 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.653 1.181 . . . . 0.0 110.826 176.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -60.45 -53.53 56.5 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.539 1.136 . . . . 0.0 110.998 -176.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.6 mt -60.7 -40.0 90.6 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.961 0.905 . . . . 0.0 111.309 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -66.97 -34.09 76.99 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.268 0.627 . . . . 0.0 111.856 177.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -68.64 -58.24 4.55 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.431 0.692 . . . . 0.0 110.368 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.74 -51.35 50.22 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 119.106 -0.473 . . . . 0.0 111.078 -178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 54.44 -87.79 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 127.193 2.197 . . . . 0.0 112.655 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.8 t -63.69 -23.38 67.35 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.547 1.139 . . . . 0.0 112.088 175.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.5 t80 63.08 88.79 0.11 Allowed Pre-proline 0 CA--C 1.532 0.281 0 C-N-CA 126.273 1.829 . . . . 0.0 111.436 -178.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -56.62 122.29 11.54 Favored 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 123.317 2.678 . . . . 0.0 109.522 164.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.8 ptt180 -66.22 139.92 58.13 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.759 0.423 . . . . 0.0 111.104 -175.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.1 p -91.28 79.31 5.68 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.075 0.95 . . . . 0.0 109.395 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -66.33 144.19 56.72 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.401 0.68 . . . . 0.0 110.464 177.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.5 t -71.95 -61.87 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 C-N-CA 123.781 0.833 . . . . 0.0 109.256 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.35 -108.77 2.58 Favored Glycine 0 C--N 1.339 0.737 0 N-CA-C 109.827 -1.309 . . . . 0.0 109.827 -177.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 61.1 -170.77 0.15 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.302 1.441 . . . . 0.0 112.49 174.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -65.52 -64.16 3.63 Favored Glycine 0 C--N 1.34 0.768 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 175.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 41.2 p -74.75 122.83 88.35 Favored Pre-proline 0 CA--C 1.536 0.441 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 170.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_exo -47.31 122.76 6.93 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 124.263 3.309 . . . . 0.0 113.361 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.024 0 O-C-N 122.425 -0.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MAN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_