data_1byv_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 1byv _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 ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 t . . . . . 0 N--CA 1.455 -0.208 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.6 t -61.63 -55.49 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 124.401 1.08 . . . . 0.0 110.385 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.6 mt -58.53 -48.1 81.98 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.577 1.151 . . . . 0.0 111.313 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.59 -43.07 99.53 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 123.685 0.659 . . . . 0.0 111.912 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -62.79 -54.49 38.14 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.112 0.965 . . . . 0.0 111.004 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.65 -34.18 77.29 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.5 t -64.31 -50.33 68.26 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.874 0.47 . . . . 0.0 110.298 176.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -58.45 -42.26 86.98 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.479 1.112 . . . . 0.0 111.19 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.53 -48.15 83.04 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.717 0.807 . . . . 0.0 110.804 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.5 mt -62.77 -33.59 75.49 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.081 0.552 . . . . 0.0 111.676 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -70.06 -44.35 69.35 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.386 0.539 . . . . 0.0 110.867 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.8 tttp . . . . . 0 N--CA 1.455 -0.211 0 C-N-CA 124.45 1.1 . . . . 0.0 110.769 -176.015 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 119.418 -0.325 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.36 -51.82 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.821 0.848 . . . . 0.0 110.845 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.8 mt -55.72 -41.08 73.33 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.263 1.025 . . . . 0.0 111.22 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.42 -52.7 51.0 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.051 0.834 . . . . 0.0 111.712 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -67.22 -44.36 79.72 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.774 0.829 . . . . 0.0 112.338 -174.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.98 -36.09 82.36 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.75 0.705 . . . . 0.0 111.333 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.7 t -64.86 -46.05 83.47 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.971 0.351 . . . . 0.0 110.428 174.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -59.22 -52.52 65.33 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.607 1.163 . . . . 0.0 111.297 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.25 -38.68 82.05 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.238 0.615 . . . . 0.0 111.926 -174.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.1 mt -66.56 -38.95 88.18 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.711 0.404 . . . . 0.0 110.863 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -66.61 -44.14 82.9 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.05 0.54 . . . . 0.0 111.142 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? . . . . . 0 N--CA 1.456 -0.171 0 C-N-CA 124.695 1.198 . . . . 0.0 110.479 -176.517 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.5 t . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 119.595 -0.24 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.74 -46.0 86.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.155 0.982 . . . . 0.0 110.601 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.26 -49.29 74.62 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.321 1.048 . . . . 0.0 109.739 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.51 -46.89 72.12 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 124.087 0.851 . . . . 0.0 112.641 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -65.28 -52.37 54.67 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.064 0.946 . . . . 0.0 111.416 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 pp -67.39 -31.33 71.47 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.158 0.435 . . . . 0.0 112.004 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -68.26 -46.99 68.9 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 123.421 0.689 . . . . 0.0 110.465 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -59.49 -46.47 88.72 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.388 1.075 . . . . 0.0 110.627 177.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.74 -51.53 69.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.544 1.138 . . . . 0.0 110.859 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.06 -47.34 85.59 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.181 0.992 . . . . 0.0 110.72 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -58.94 -49.15 78.94 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.606 0.762 . . . . 0.0 110.934 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp . . . . . 0 N--CA 1.455 -0.215 0 C-N-CA 124.309 1.044 . . . . 0.0 111.272 -177.058 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.8 t . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 119.58 -0.248 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.17 -51.67 69.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.773 0.829 . . . . 0.0 110.79 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 mt -57.52 -44.18 84.85 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.92 0.888 . . . . 0.0 111.085 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.19 -44.37 98.22 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 123.838 0.733 . . . . 0.0 111.792 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.61 -52.84 55.37 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.069 0.948 . . . . 0.0 111.137 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.07 -35.09 79.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 117.932 0.333 . . . . 0.0 111.677 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.9 t -62.75 -48.19 80.27 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 122.808 0.443 . . . . 0.0 110.399 176.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -60.27 -47.86 84.21 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.679 0.792 . . . . 0.0 110.653 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -54.1 -55.12 30.65 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.998 0.919 . . . . 0.0 110.93 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.1 mt -59.13 -42.95 91.86 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.991 0.916 . . . . 0.0 111.359 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -60.42 -50.83 72.04 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.221 0.608 . . . . 0.0 111.086 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp . . . . . 0 CA--C 1.53 0.211 0 C-N-CA 124.128 0.971 . . . . 0.0 111.153 -176.357 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.9 t . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 119.472 -0.299 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.96 -52.48 58.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.685 0.794 . . . . 0.0 110.616 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.29 -43.44 83.18 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.933 0.893 . . . . 0.0 111.047 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.89 -45.44 96.53 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.879 0.752 . . . . 0.0 111.79 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -65.17 -51.75 59.15 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.078 0.951 . . . . 0.0 111.245 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.92 -35.64 80.45 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 119.329 -0.367 . . . . 0.0 111.627 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -63.25 -47.38 82.65 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 122.915 0.486 . . . . 0.0 110.475 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -59.23 -44.37 92.31 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.459 1.103 . . . . 0.0 111.028 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.86 -53.07 59.85 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.784 0.834 . . . . 0.0 110.867 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.1 mt -58.7 -42.81 89.5 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.877 0.871 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -61.16 -46.3 91.1 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.288 0.635 . . . . 0.0 111.072 175.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? . . . . . 0 N--CA 1.455 -0.203 0 C-N-CA 123.809 0.844 . . . . 0.0 111.11 -174.454 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.6 t . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 119.596 -0.24 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.27 -49.74 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.958 0.903 . . . . 0.0 110.551 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.1 mt -58.76 -45.06 90.62 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.111 0.965 . . . . 0.0 111.028 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.89 -45.19 97.03 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.856 0.741 . . . . 0.0 111.754 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -61.06 -55.61 30.68 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.766 1.226 . . . . 0.0 111.023 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.06 -35.36 79.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.781 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.9 t -62.58 -48.71 78.24 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 118.267 0.485 . . . . 0.0 110.32 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -57.57 -48.72 78.59 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 124.322 1.049 . . . . 0.0 110.662 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -61.04 -51.87 67.36 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.843 0.857 . . . . 0.0 111.146 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.6 mt -62.14 -41.5 98.33 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.502 0.721 . . . . 0.0 111.077 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -68.74 -36.6 78.6 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.211 0.605 . . . . 0.0 111.772 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 tptm . . . . . 0 C--N 1.341 0.209 0 C-N-CA 123.741 0.817 . . . . 0.0 110.199 177.943 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 119.882 -0.104 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.96 -50.38 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 124.113 0.965 . . . . 0.0 110.227 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -56.19 -48.33 76.57 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.445 1.098 . . . . 0.0 110.542 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.75 -46.65 93.13 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.108 0.861 . . . . 0.0 111.793 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -61.97 -56.01 23.55 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.81 0.844 . . . . 0.0 111.104 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.74 -36.21 83.57 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.11 0.414 . . . . 0.0 111.744 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.9 t -61.8 -52.5 63.95 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 122.93 0.492 . . . . 0.0 110.352 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -56.69 -48.73 77.01 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 124.658 1.183 . . . . 0.0 111.036 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.62 -57.71 10.95 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.512 1.125 . . . . 0.0 110.857 -175.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.8 mt -59.33 -41.68 89.72 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.078 0.951 . . . . 0.0 111.245 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -60.71 -51.04 71.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.771 0.429 . . . . 0.0 110.806 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.5 tptm . . . . . 0 N--CA 1.455 -0.224 0 C-N-CA 124.023 0.929 . . . . 0.0 111.138 -173.896 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 p . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.79 -53.53 37.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 123.348 0.659 . . . . 0.0 110.189 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.4 mt -57.97 -41.29 82.62 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.607 0.763 . . . . 0.0 110.992 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.72 -47.15 92.63 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.194 0.902 . . . . 0.0 111.787 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -61.28 -49.95 74.97 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.974 0.91 . . . . 0.0 110.782 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.9 mt -60.97 -46.06 92.25 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.871 0.868 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.0 t -58.7 -46.71 86.69 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.925 0.89 . . . . 0.0 111.107 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.68 -36.42 80.64 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.078 0.551 . . . . 0.0 111.261 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.55 -57.88 8.76 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.059 0.944 . . . . 0.0 110.681 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.42 -31.48 72.18 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.491 0.316 . . . . 0.0 111.769 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.01 -58.19 6.74 Favored 'General case' 0 C--N 1.341 0.223 0 C-N-CA 123.735 0.814 . . . . 0.0 110.418 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? . . . . . 0 C--N 1.34 0.194 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.281 -171.572 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.7 t . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.0 t -60.77 -51.21 75.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 C-N-CA 124.041 0.937 . . . . 0.0 110.483 -174.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.2 mt -56.63 -40.53 75.54 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.787 0.835 . . . . 0.0 111.158 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.6 -46.78 93.76 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.268 0.937 . . . . 0.0 111.936 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.48 -41.22 89.27 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.117 0.967 . . . . 0.0 111.318 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.6 -44.58 90.15 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.465 0.706 . . . . 0.0 110.734 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 t -62.39 -44.86 95.44 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.795 0.838 . . . . 0.0 110.961 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -59.48 -49.23 78.57 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.45 1.1 . . . . 0.0 110.463 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.87 -46.47 89.21 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.377 1.071 . . . . 0.0 111.131 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.58 -47.27 86.92 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.91 0.884 . . . . 0.0 110.607 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -64.6 -45.6 86.23 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.754 0.821 . . . . 0.0 111.536 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp . . . . . 0 N--CA 1.455 -0.196 0 C-N-CA 124.626 1.17 . . . . 0.0 110.987 -176.294 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 119.685 -0.198 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.06 -51.68 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 124.051 0.94 . . . . 0.0 110.466 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.7 mt -58.59 -45.73 88.45 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.081 0.952 . . . . 0.0 110.976 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.27 -44.42 97.5 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.815 0.721 . . . . 0.0 111.844 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -62.74 -55.52 25.95 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.56 1.144 . . . . 0.0 111.078 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.6 -34.75 78.58 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 119.398 -0.334 . . . . 0.0 111.802 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 t -62.24 -51.83 66.17 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.02 0.528 . . . . 0.0 110.172 176.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -57.41 -44.0 84.24 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 123.997 0.919 . . . . 0.0 111.124 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -60.11 -49.39 77.85 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.313 0.645 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.9 mt -58.74 -41.25 86.02 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.554 0.741 . . . . 0.0 111.163 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -65.27 -43.14 92.18 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.11 0.564 . . . . 0.0 110.958 176.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm . . . . . 0 N--CA 1.456 -0.165 0 C-N-CA 125.012 1.325 . . . . 0.0 110.9 -175.827 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -155.97 -34.51 0.09 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.717 1.207 . . . . 0.0 110.862 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -47.02 80.92 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.538 0.735 . . . . 0.0 110.948 -177.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.7 mt 61.48 43.15 10.58 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.451 1.5 . . . . 0.0 110.715 -172.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -167.37 -66.42 0.03 OUTLIER 'General case' 0 C--N 1.34 0.169 0 C-N-CA 125.41 1.484 . . . . 0.0 107.783 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.8 m -63.23 -30.11 71.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.947 0.899 . . . . 0.0 109.89 167.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 t -53.26 -58.54 6.7 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.332 1.053 . . . . 0.0 110.009 168.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.6 t -61.63 -55.49 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 124.401 1.08 . . . . 0.0 110.385 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.6 mt -58.53 -48.1 81.98 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.577 1.151 . . . . 0.0 111.313 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.59 -43.07 99.53 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 123.685 0.659 . . . . 0.0 111.912 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -62.79 -54.49 38.14 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.112 0.965 . . . . 0.0 111.004 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.65 -34.18 77.29 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.5 t -64.31 -50.33 68.26 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.874 0.47 . . . . 0.0 110.298 176.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -58.45 -42.26 86.98 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.479 1.112 . . . . 0.0 111.19 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.53 -48.15 83.04 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.717 0.807 . . . . 0.0 110.804 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.5 mt -62.77 -33.59 75.49 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.081 0.552 . . . . 0.0 111.676 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -70.06 -44.35 69.35 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.386 0.539 . . . . 0.0 110.867 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -66.11 -60.38 2.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.45 1.1 . . . . 0.0 110.769 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 mt -71.57 -62.83 1.27 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.674 0.789 . . . . 0.0 109.361 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 56.21 42.35 28.17 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.198 1.399 . . . . 0.0 111.632 177.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m 58.08 32.19 21.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.28 1.432 . . . . 0.0 111.481 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 51.11 78.32 0.41 Allowed Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 125.936 1.694 . . . . 0.0 112.838 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -81.09 70.53 7.46 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.761 2.974 . . . . 0.0 109.585 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -68.94 -57.11 5.95 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.966 0.906 . . . . 0.0 109.657 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.7 m -148.39 141.6 25.08 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 125.277 1.431 . . . . 0.0 107.835 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -148.52 91.87 1.94 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.954 0.901 . . . . 0.0 108.727 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -153.31 -42.71 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 124.296 1.038 . . . . 0.0 110.403 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 174.2 -54.63 0.14 Allowed Glycine 0 C--N 1.339 0.734 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.49 -52.44 57.9 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.022 0.929 . . . . 0.0 110.981 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.92 54.61 9.18 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 110.816 -0.913 . . . . 0.0 110.816 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.4 p -75.23 148.99 84.33 Favored Pre-proline 0 CA--C 1.536 0.413 0 C-N-CA 123.986 0.914 . . . . 0.0 110.548 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.65 -40.74 3.67 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.217 2.611 . . . . 0.0 111.166 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.045 0 O-C-N 122.013 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 57.6 m . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m 76.18 -55.67 0.59 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 126.553 1.941 . . . . 0.0 111.712 -177.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -64.56 -44.26 91.3 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.433 0.693 . . . . 0.0 112.087 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.3 mt 54.49 53.81 10.23 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.546 1.138 . . . . 0.0 110.605 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -153.67 -67.82 0.14 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.191 0.997 . . . . 0.0 108.492 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.1 m -62.48 -43.32 99.09 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.767 0.827 . . . . 0.0 108.879 168.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 t -53.44 -54.21 40.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.338 1.455 . . . . 0.0 111.178 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.36 -51.82 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.821 0.848 . . . . 0.0 110.845 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.8 mt -55.72 -41.08 73.33 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.263 1.025 . . . . 0.0 111.22 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.42 -52.7 51.0 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.051 0.834 . . . . 0.0 111.712 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -67.22 -44.36 79.72 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.774 0.829 . . . . 0.0 112.338 -174.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.98 -36.09 82.36 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.75 0.705 . . . . 0.0 111.333 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.7 t -64.86 -46.05 83.47 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.971 0.351 . . . . 0.0 110.428 174.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -59.22 -52.52 65.33 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.607 1.163 . . . . 0.0 111.297 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.25 -38.68 82.05 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.238 0.615 . . . . 0.0 111.926 -174.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.1 mt -66.56 -38.95 88.18 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.711 0.404 . . . . 0.0 110.863 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -66.61 -44.14 82.9 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.05 0.54 . . . . 0.0 111.142 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -64.34 -60.67 2.9 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.695 1.198 . . . . 0.0 110.479 -176.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.4 mt -72.76 -59.94 2.47 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.931 0.893 . . . . 0.0 109.666 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 54.31 44.78 28.48 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.492 1.517 . . . . 0.0 111.312 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 m 55.85 50.39 14.16 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.626 1.57 . . . . 0.0 111.15 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.7 p90 39.93 70.05 1.59 Allowed Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 126.319 1.848 . . . . 0.0 113.633 168.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -63.02 -49.86 4.48 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.911 2.408 . . . . 0.0 109.884 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.56 101.68 8.42 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.99 -1.856 . . . . 0.0 105.99 161.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.1 m -66.67 -68.5 0.37 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.812 0.845 . . . . 0.0 110.613 -173.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.8 t70 68.69 135.69 0.03 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 126.48 1.912 . . . . 0.0 111.919 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.4 t -74.23 -75.75 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 174.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.7 -77.53 0.93 Allowed Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.72 64.97 0.99 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.162 1.385 . . . . 0.0 107.839 173.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.84 132.32 4.29 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 109.861 -1.296 . . . . 0.0 109.861 -173.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.8 p -65.99 143.43 98.44 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 123.628 0.771 . . . . 0.0 111.139 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.13 165.89 31.48 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.607 2.871 . . . . 0.0 110.753 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.036 0 O-C-N 122.27 -0.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 121.095 0.474 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 p -152.33 -48.7 0.1 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.9 1.68 . . . . 0.0 108.573 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -62.81 -40.53 97.66 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 123.48 0.712 . . . . 0.0 110.219 163.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.9 mt 60.26 51.92 5.22 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 125.134 1.374 . . . . 0.0 109.254 -170.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -158.19 -58.82 0.08 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.019 1.328 . . . . 0.0 108.35 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.1 p -64.12 -44.7 91.43 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.723 0.809 . . . . 0.0 109.965 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.5 t -61.01 -47.69 85.28 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.523 1.129 . . . . 0.0 110.627 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.74 -46.0 86.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.155 0.982 . . . . 0.0 110.601 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.26 -49.29 74.62 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.321 1.048 . . . . 0.0 109.739 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.51 -46.89 72.12 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 124.087 0.851 . . . . 0.0 112.641 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -65.28 -52.37 54.67 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.064 0.946 . . . . 0.0 111.416 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 pp -67.39 -31.33 71.47 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.158 0.435 . . . . 0.0 112.004 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -68.26 -46.99 68.9 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 123.421 0.689 . . . . 0.0 110.465 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -59.49 -46.47 88.72 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.388 1.075 . . . . 0.0 110.627 177.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.74 -51.53 69.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.544 1.138 . . . . 0.0 110.859 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.06 -47.34 85.59 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.181 0.992 . . . . 0.0 110.72 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -58.94 -49.15 78.94 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.606 0.762 . . . . 0.0 110.934 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -56.55 -53.96 51.44 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.309 1.044 . . . . 0.0 111.272 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -70.67 -28.31 64.69 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -67.23 -54.07 24.32 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 118.454 0.57 . . . . 0.0 110.123 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 p -68.03 -42.61 80.32 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.7 0.8 . . . . 0.0 111.31 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -137.6 82.22 27.87 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 124.828 1.251 . . . . 0.0 109.151 -173.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.11 -37.67 10.38 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.731 2.287 . . . . 0.0 110.571 175.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -154.62 -170.1 3.42 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.887 1.275 . . . . 0.0 109.044 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.0 m -66.8 107.36 2.16 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.608 0.763 . . . . 0.0 108.989 174.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -134.71 157.97 45.32 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.897 1.279 . . . . 0.0 109.785 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 p -155.69 147.6 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 124.514 1.126 . . . . 0.0 109.15 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.63 75.54 0.09 OUTLIER Glycine 0 C--N 1.339 0.714 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.87 159.22 41.7 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.112 0.965 . . . . 0.0 110.073 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.28 -48.56 73.26 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.5 m -131.56 89.46 40.07 Favored Pre-proline 0 CA--C 1.534 0.333 0 C-N-CA 124.822 1.249 . . . . 0.0 107.819 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -56.03 149.44 52.77 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 124.06 3.173 . . . . 0.0 112.864 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.009 0 CA-C-N 116.718 -0.219 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.0 t . . . . . 0 N--CA 1.472 0.657 0 CA-C-O 119.578 -0.249 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -147.92 -61.32 0.26 Allowed 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.754 0.822 . . . . 0.0 110.145 -176.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -62.8 -28.23 69.85 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.617 1.167 . . . . 0.0 113.066 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.6 mt 57.41 59.98 3.09 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.427 1.091 . . . . 0.0 110.039 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 t -151.04 -67.24 0.19 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.48 1.112 . . . . 0.0 108.113 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.5 m -67.0 -40.15 87.28 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.398 0.679 . . . . 0.0 109.379 170.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.8 t -56.76 -49.18 76.03 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.363 1.065 . . . . 0.0 111.023 172.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.17 -51.67 69.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.773 0.829 . . . . 0.0 110.79 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 mt -57.52 -44.18 84.85 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.92 0.888 . . . . 0.0 111.085 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.19 -44.37 98.22 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 123.838 0.733 . . . . 0.0 111.792 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.61 -52.84 55.37 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.069 0.948 . . . . 0.0 111.137 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.07 -35.09 79.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 117.932 0.333 . . . . 0.0 111.677 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.9 t -62.75 -48.19 80.27 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 122.808 0.443 . . . . 0.0 110.399 176.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -60.27 -47.86 84.21 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.679 0.792 . . . . 0.0 110.653 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -54.1 -55.12 30.65 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.998 0.919 . . . . 0.0 110.93 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.1 mt -59.13 -42.95 91.86 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.991 0.916 . . . . 0.0 111.359 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -60.42 -50.83 72.04 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.221 0.608 . . . . 0.0 111.086 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -57.67 -51.99 67.25 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.128 0.971 . . . . 0.0 111.153 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.02 -31.44 67.93 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -67.51 -64.05 0.93 Allowed 'General case' 0 C--N 1.341 0.228 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 t -101.4 85.09 2.71 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.714 1.205 . . . . 0.0 108.644 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -57.27 -33.12 15.97 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-O 117.405 -1.283 . . . . 0.0 113.464 170.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.48 -42.62 53.16 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 121.771 1.647 . . . . 0.0 111.259 171.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 77.52 135.12 0.06 Allowed 'General case' 0 C--N 1.343 0.32 0 C-N-CA 125.739 1.616 . . . . 0.0 109.226 177.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.0 p -78.5 50.24 0.94 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.089 1.356 . . . . 0.0 111.623 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -154.39 -56.45 0.11 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 126.353 1.861 . . . . 0.0 108.085 175.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.96 -58.2 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 124.397 1.079 . . . . 0.0 109.987 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.73 55.42 4.54 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 109.981 -1.248 . . . . 0.0 109.981 -172.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.86 176.93 9.17 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.096 1.358 . . . . 0.0 111.87 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.96 76.1 0.39 Allowed Glycine 0 C--N 1.339 0.743 0 N-CA-C 108.739 -1.745 . . . . 0.0 108.739 176.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.3 m -60.29 -44.12 95.24 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 117.781 -1.104 . . . . 0.0 113.235 -173.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -57.22 148.49 69.9 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.107 2.538 . . . . 0.0 112.6 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.012 0 CA-C-N 116.753 -0.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 93.0 m . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 120.25 0.072 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -83.67 -58.12 2.94 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.107 0.963 . . . . 0.0 110.274 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -64.66 -39.56 93.89 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.743 0.817 . . . . 0.0 112.513 -175.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.1 mt 55.15 55.25 7.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.626 1.17 . . . . 0.0 110.296 -178.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -144.86 -65.79 0.33 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.49 1.116 . . . . 0.0 108.258 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.9 m -63.83 -44.43 93.26 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.849 0.86 . . . . 0.0 109.393 172.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.9 t -59.21 -46.57 88.08 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.644 1.177 . . . . 0.0 111.378 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.96 -52.48 58.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.685 0.794 . . . . 0.0 110.616 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.29 -43.44 83.18 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.933 0.893 . . . . 0.0 111.047 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.89 -45.44 96.53 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.879 0.752 . . . . 0.0 111.79 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -65.17 -51.75 59.15 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.078 0.951 . . . . 0.0 111.245 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.92 -35.64 80.45 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 119.329 -0.367 . . . . 0.0 111.627 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -63.25 -47.38 82.65 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 122.915 0.486 . . . . 0.0 110.475 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -59.23 -44.37 92.31 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.459 1.103 . . . . 0.0 111.028 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.86 -53.07 59.85 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.784 0.834 . . . . 0.0 110.867 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.1 mt -58.7 -42.81 89.5 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.877 0.871 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -61.16 -46.3 91.1 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.288 0.635 . . . . 0.0 111.072 175.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -61.13 -51.55 68.61 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.809 0.844 . . . . 0.0 111.11 -174.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 pp -69.07 -32.18 71.45 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -67.75 -52.48 36.94 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 123.13 0.572 . . . . 0.0 110.207 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.5 m -60.14 -47.49 85.71 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.693 1.197 . . . . 0.0 110.387 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.6 t80 55.12 67.92 2.86 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 125.585 1.554 . . . . 0.0 110.814 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.89 111.03 2.94 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.077 2.518 . . . . 0.0 108.918 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -71.74 109.35 5.57 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.978 0.511 . . . . 0.0 110.534 -173.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.5 p -76.1 -59.8 2.6 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.945 0.898 . . . . 0.0 109.838 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.7 170.5 8.52 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.559 1.144 . . . . 0.0 110.988 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.1 t -80.92 -49.47 18.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 124.746 1.219 . . . . 0.0 109.248 177.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.4 84.75 0.95 Allowed Glycine 0 C--N 1.341 0.833 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 68.08 161.16 0.18 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.06 1.744 . . . . 0.0 110.992 -170.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.0 50.14 4.35 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.2 t -171.68 141.89 1.3 Allowed Pre-proline 0 CA--C 1.535 0.382 0 C-N-CA 125.676 1.591 . . . . 0.0 108.034 -173.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -74.48 159.95 42.34 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 123.013 2.475 . . . . 0.0 110.781 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.042 0 CA-C-N 116.597 -0.274 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 119.062 -0.494 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 m 53.08 41.39 32.16 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.666 1.586 . . . . 0.0 113.754 169.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -151.27 -50.95 0.12 Allowed 'General case' 0 C--N 1.34 0.159 0 C-N-CA 123.934 0.893 . . . . 0.0 110.202 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.8 mt 59.61 42.17 17.68 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.192 1.397 . . . . 0.0 110.516 -168.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 t -164.2 -70.4 0.04 OUTLIER 'General case' 0 C--N 1.342 0.247 0 C-N-CA 124.724 1.209 . . . . 0.0 108.477 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.7 m -60.9 -40.91 94.86 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.124 0.97 . . . . 0.0 109.418 168.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.6 t -56.99 -49.01 77.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.448 1.499 . . . . 0.0 111.165 173.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.27 -49.74 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.958 0.903 . . . . 0.0 110.551 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.1 mt -58.76 -45.06 90.62 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.111 0.965 . . . . 0.0 111.028 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.89 -45.19 97.03 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.856 0.741 . . . . 0.0 111.754 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -61.06 -55.61 30.68 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.766 1.226 . . . . 0.0 111.023 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.06 -35.36 79.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.781 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.9 t -62.58 -48.71 78.24 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 118.267 0.485 . . . . 0.0 110.32 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -57.57 -48.72 78.59 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 124.322 1.049 . . . . 0.0 110.662 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -61.04 -51.87 67.36 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.843 0.857 . . . . 0.0 111.146 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.6 mt -62.14 -41.5 98.33 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.502 0.721 . . . . 0.0 111.077 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -68.74 -36.6 78.6 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.211 0.605 . . . . 0.0 111.772 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -63.52 -45.92 88.42 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.741 0.817 . . . . 0.0 110.199 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.1 mt -70.07 -84.0 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 174.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 65.12 -77.19 0.04 OUTLIER 'General case' 0 C--N 1.342 0.25 0 C-N-CA 126.938 2.095 . . . . 0.0 112.522 171.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 t -92.74 -44.07 8.72 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.323 1.449 . . . . 0.0 110.28 175.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.9 p90 39.04 67.68 2.26 Favored Pre-proline 0 CA--C 1.54 0.558 0 C-N-CA 126.721 2.008 . . . . 0.0 113.376 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -73.59 155.6 49.82 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.181 2.587 . . . . 0.0 110.834 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -64.87 -61.67 2.03 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.595 0.758 . . . . 0.0 109.503 178.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 t -73.5 146.41 44.9 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.361 0.664 . . . . 0.0 109.72 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -158.9 -56.99 0.07 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.67 0.788 . . . . 0.0 109.649 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.65 145.88 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 124.477 1.111 . . . . 0.0 109.193 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 175.11 -68.43 0.1 OUTLIER Glycine 0 C--N 1.338 0.658 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 68.64 -74.82 0.07 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 126.639 1.975 . . . . 0.0 111.81 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.72 70.07 3.18 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.8 t -158.27 140.28 10.12 Favored Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 124.667 1.187 . . . . 0.0 108.651 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.4 -42.5 2.69 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.912 2.408 . . . . 0.0 111.187 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.017 0 O-C-N 122.181 -0.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 38.0 t . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 120.584 0.23 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.8 m -134.57 57.62 1.8 Allowed 'General case' 0 C--N 1.341 0.202 0 C-N-CA 124.328 1.051 . . . . 0.0 109.872 -174.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -177.33 -34.2 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.629 1.572 . . . . 0.0 110.682 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.5 mt 66.37 66.58 0.46 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 125.28 1.432 . . . . 0.0 110.166 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 t -150.01 -65.54 0.21 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.439 1.096 . . . . 0.0 108.633 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.3 p -67.12 -38.95 86.49 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.558 0.743 . . . . 0.0 109.764 171.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.18 -44.22 89.13 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.885 1.274 . . . . 0.0 110.845 177.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.96 -50.38 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 124.113 0.965 . . . . 0.0 110.227 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -56.19 -48.33 76.57 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.445 1.098 . . . . 0.0 110.542 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.75 -46.65 93.13 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.108 0.861 . . . . 0.0 111.793 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -61.97 -56.01 23.55 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.81 0.844 . . . . 0.0 111.104 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.74 -36.21 83.57 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.11 0.414 . . . . 0.0 111.744 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.9 t -61.8 -52.5 63.95 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 122.93 0.492 . . . . 0.0 110.352 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -56.69 -48.73 77.01 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 124.658 1.183 . . . . 0.0 111.036 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.62 -57.71 10.95 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.512 1.125 . . . . 0.0 110.857 -175.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.8 mt -59.33 -41.68 89.72 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.078 0.951 . . . . 0.0 111.245 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -60.71 -51.04 71.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.771 0.429 . . . . 0.0 110.806 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -59.12 -55.96 28.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.023 0.929 . . . . 0.0 111.138 -173.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -61.97 -32.3 72.73 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.71 -50.67 62.06 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 123.189 0.596 . . . . 0.0 109.688 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.2 p -83.86 43.88 0.95 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.28 1.032 . . . . 0.0 111.091 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -156.5 82.97 3.33 Favored Pre-proline 0 CA--C 1.533 0.293 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 177.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -53.0 119.58 6.32 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 124.241 3.294 . . . . 0.0 110.867 174.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.41 87.22 0.09 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.903 1.281 . . . . 0.0 109.068 -169.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.8 m -76.92 129.49 36.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.7 0.8 . . . . 0.0 109.156 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -157.6 179.51 9.16 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.276 1.03 . . . . 0.0 109.966 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -153.9 145.75 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 124.203 1.001 . . . . 0.0 109.232 177.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.01 73.53 2.62 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.61 76.63 0.34 Allowed 'General case' 0 C--N 1.341 0.212 0 C-N-CA 125.413 1.485 . . . . 0.0 110.944 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.0 72.74 2.42 Favored Glycine 0 C--N 1.34 0.799 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.5 p -131.78 73.58 78.63 Favored Pre-proline 0 CA--C 1.535 0.402 0 C-N-CA 125.157 1.383 . . . . 0.0 109.283 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.11 83.05 2.21 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 123.688 2.925 . . . . 0.0 110.312 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.003 0 O-C-N 122.088 -0.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 121.197 0.522 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -83.97 -45.63 12.94 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.585 1.154 . . . . 0.0 110.13 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -60.91 -33.69 73.52 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.251 1.02 . . . . 0.0 112.496 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.8 mt 58.07 61.66 2.28 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.742 1.217 . . . . 0.0 110.37 178.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -150.87 -71.44 0.17 Allowed 'General case' 0 C--N 1.339 0.152 0 C-N-CA 123.25 0.62 . . . . 0.0 110.142 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.2 p -63.91 -50.06 70.21 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.045 0.538 . . . . 0.0 109.723 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 p -60.15 -39.04 84.96 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.31 1.444 . . . . 0.0 112.212 176.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.79 -53.53 37.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 123.348 0.659 . . . . 0.0 110.189 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.4 mt -57.97 -41.29 82.62 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.607 0.763 . . . . 0.0 110.992 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.72 -47.15 92.63 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.194 0.902 . . . . 0.0 111.787 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -61.28 -49.95 74.97 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.974 0.91 . . . . 0.0 110.782 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.9 mt -60.97 -46.06 92.25 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.871 0.868 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.0 t -58.7 -46.71 86.69 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.925 0.89 . . . . 0.0 111.107 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.68 -36.42 80.64 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.078 0.551 . . . . 0.0 111.261 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.55 -57.88 8.76 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.059 0.944 . . . . 0.0 110.681 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.42 -31.48 72.18 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.491 0.316 . . . . 0.0 111.769 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.01 -58.19 6.74 Favored 'General case' 0 C--N 1.341 0.223 0 C-N-CA 123.735 0.814 . . . . 0.0 110.418 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -63.04 -44.42 95.92 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.281 -171.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.78 -32.28 73.47 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.667 0.667 . . . . 0.0 111.839 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.57 -60.89 2.0 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.368 0.667 . . . . 0.0 110.168 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.9 p -70.29 -26.73 63.94 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.746 0.818 . . . . 0.0 112.376 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -129.92 99.96 19.63 Favored Pre-proline 0 CA--C 1.532 0.26 0 C-N-CA 124.795 1.238 . . . . 0.0 108.162 175.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.57 77.54 2.94 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.417 2.745 . . . . 0.0 109.244 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.8 ttp-105 -168.28 126.95 1.17 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.539 1.536 . . . . 0.0 107.677 -169.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.8 m -65.35 -50.69 64.65 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.808 0.843 . . . . 0.0 110.227 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -71.4 96.71 1.51 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.5 1.12 . . . . 0.0 110.216 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 m 58.63 173.17 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 127.543 2.337 . . . . 0.0 114.193 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 172.02 -117.19 0.66 Allowed Glycine 0 C--N 1.338 0.672 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.17 -37.14 75.11 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.318 0.647 . . . . 0.0 110.252 172.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.72 70.56 3.01 Favored Glycine 0 C--N 1.342 0.866 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.7 m -77.98 124.83 86.07 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 124.531 1.132 . . . . 0.0 108.907 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -52.57 143.56 45.35 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 123.879 3.053 . . . . 0.0 113.086 176.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.001 0 O-C-N 122.414 -0.179 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 120.638 0.256 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -69.58 -52.51 25.45 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 167.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -80.72 178.2 8.52 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.014 1.326 . . . . 0.0 110.927 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.19 54.86 1.55 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.792 1.237 . . . . 0.0 109.387 177.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 p -150.8 -65.72 0.19 Allowed 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.91 0.884 . . . . 0.0 109.745 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.6 m -68.04 -35.91 79.04 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.83 0.852 . . . . 0.0 109.359 171.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.7 t -50.97 -56.5 12.15 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 125.0 1.32 . . . . 0.0 110.387 166.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.0 t -60.77 -51.21 75.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 C-N-CA 124.041 0.937 . . . . 0.0 110.483 -174.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.2 mt -56.63 -40.53 75.54 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.787 0.835 . . . . 0.0 111.158 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.6 -46.78 93.76 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.268 0.937 . . . . 0.0 111.936 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.48 -41.22 89.27 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.117 0.967 . . . . 0.0 111.318 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.6 -44.58 90.15 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.465 0.706 . . . . 0.0 110.734 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 t -62.39 -44.86 95.44 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.795 0.838 . . . . 0.0 110.961 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -59.48 -49.23 78.57 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.45 1.1 . . . . 0.0 110.463 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.87 -46.47 89.21 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.377 1.071 . . . . 0.0 111.131 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.58 -47.27 86.92 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.91 0.884 . . . . 0.0 110.607 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -64.6 -45.6 86.23 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.754 0.821 . . . . 0.0 111.536 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -61.95 -56.47 18.79 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.626 1.17 . . . . 0.0 110.987 -176.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.7 mt -72.75 -67.4 0.56 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.358 0.663 . . . . 0.0 109.591 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? 71.87 -65.22 0.36 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.546 1.938 . . . . 0.0 112.055 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -65.63 -42.4 91.54 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.693 0.797 . . . . 0.0 111.696 -177.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -66.41 -58.93 9.22 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.095 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -69.67 161.1 47.21 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.461 2.107 . . . . 0.0 111.034 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.9 mtp-105 -80.31 87.71 5.57 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.527 0.731 . . . . 0.0 109.074 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.8 m -79.2 80.42 5.56 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -79.28 132.89 36.61 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.873 0.869 . . . . 0.0 110.342 -173.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.7 t -63.84 -55.35 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 123.839 0.856 . . . . 0.0 108.8 174.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.59 -177.12 51.6 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 172.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.71 98.83 7.14 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.744 0.817 . . . . 0.0 109.754 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.21 -54.46 4.88 Favored Glycine 0 C--N 1.341 0.827 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.9 m -79.24 130.53 68.79 Favored Pre-proline 0 CA--C 1.534 0.353 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 174.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -79.36 71.52 6.99 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 123.49 2.793 . . . . 0.0 110.359 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.009 0 O-C-N 121.942 -0.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.6 t . . . . . 0 N--CA 1.474 0.775 0 CA-C-O 121.098 0.475 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -82.91 -44.03 15.85 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.643 1.177 . . . . 0.0 111.017 -176.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -63.26 -43.33 98.27 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.377 1.071 . . . . 0.0 111.982 -173.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.4 mt 59.67 49.11 8.61 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.644 1.178 . . . . 0.0 109.663 -169.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.6 t -157.13 -64.73 0.1 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.613 1.165 . . . . 0.0 108.451 -177.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.5 p -62.62 -41.77 99.19 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.225 0.61 . . . . 0.0 109.476 170.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.71 -46.48 90.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.774 1.23 . . . . 0.0 111.043 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.06 -51.68 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 124.051 0.94 . . . . 0.0 110.466 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.7 mt -58.59 -45.73 88.45 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.081 0.952 . . . . 0.0 110.976 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.27 -44.42 97.5 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.815 0.721 . . . . 0.0 111.844 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -62.74 -55.52 25.95 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.56 1.144 . . . . 0.0 111.078 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.6 -34.75 78.58 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 119.398 -0.334 . . . . 0.0 111.802 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 t -62.24 -51.83 66.17 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.02 0.528 . . . . 0.0 110.172 176.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -57.41 -44.0 84.24 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 123.997 0.919 . . . . 0.0 111.124 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -60.11 -49.39 77.85 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.313 0.645 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.9 mt -58.74 -41.25 86.02 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.554 0.741 . . . . 0.0 111.163 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -65.27 -43.14 92.18 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.11 0.564 . . . . 0.0 110.958 176.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -61.1 -54.09 48.97 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 125.012 1.325 . . . . 0.0 110.9 -175.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 pp -66.58 -17.49 64.85 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -87.63 -17.98 30.67 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.438 1.095 . . . . 0.0 111.913 176.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.0 m -60.98 -53.45 57.05 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 123.74 0.816 . . . . 0.0 111.234 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -70.05 -47.57 21.74 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-O 118.352 -0.832 . . . . 0.0 111.918 -170.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -57.82 -34.7 98.62 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.215 2.61 . . . . 0.0 112.322 168.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 76.55 -74.13 0.08 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 127.078 2.151 . . . . 0.0 111.095 177.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.8 m -86.13 65.55 9.14 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.26 1.024 . . . . 0.0 109.302 -172.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.1 t0 52.67 -95.65 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.715 2.006 . . . . 0.0 111.477 -176.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . 0.32 12.2 p 40.9 -76.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 129.603 3.161 . . . . 0.0 114.969 179.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.04 54.98 4.9 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -163.67 -159.98 0.55 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.495 1.518 . . . . 0.0 108.533 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.09 75.37 1.54 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 124.097 0.856 . . . . 0.0 111.513 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.0 m -65.48 -42.87 60.27 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 124.519 1.127 . . . . 0.0 112.275 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.25 149.97 69.48 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.867 2.378 . . . . 0.0 112.577 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.034 0 CA-C-N 116.78 -0.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 t . . . . . 0 N--CA 1.455 -0.208 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.6 t -61.63 -55.49 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 124.401 1.08 . . . . 0.0 110.385 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.6 mt -58.53 -48.1 81.98 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.577 1.151 . . . . 0.0 111.313 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.59 -43.07 99.53 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 123.685 0.659 . . . . 0.0 111.912 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -62.79 -54.49 38.14 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.112 0.965 . . . . 0.0 111.004 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.65 -34.18 77.29 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.5 t -64.31 -50.33 68.26 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.874 0.47 . . . . 0.0 110.298 176.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -58.45 -42.26 86.98 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.479 1.112 . . . . 0.0 111.19 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.53 -48.15 83.04 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.717 0.807 . . . . 0.0 110.804 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.5 mt -62.77 -33.59 75.49 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.081 0.552 . . . . 0.0 111.676 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -70.06 -44.35 69.35 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.386 0.539 . . . . 0.0 110.867 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.8 tttp . . . . . 0 N--CA 1.455 -0.211 0 C-N-CA 124.45 1.1 . . . . 0.0 110.769 -176.015 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 119.418 -0.325 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.36 -51.82 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.821 0.848 . . . . 0.0 110.845 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.8 mt -55.72 -41.08 73.33 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.263 1.025 . . . . 0.0 111.22 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.42 -52.7 51.0 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.051 0.834 . . . . 0.0 111.712 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -67.22 -44.36 79.72 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.774 0.829 . . . . 0.0 112.338 -174.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.98 -36.09 82.36 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.75 0.705 . . . . 0.0 111.333 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.7 t -64.86 -46.05 83.47 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.971 0.351 . . . . 0.0 110.428 174.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -59.22 -52.52 65.33 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.607 1.163 . . . . 0.0 111.297 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.25 -38.68 82.05 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.238 0.615 . . . . 0.0 111.926 -174.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.1 mt -66.56 -38.95 88.18 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.711 0.404 . . . . 0.0 110.863 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -66.61 -44.14 82.9 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.05 0.54 . . . . 0.0 111.142 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? . . . . . 0 N--CA 1.456 -0.171 0 C-N-CA 124.695 1.198 . . . . 0.0 110.479 -176.517 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.5 t . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 119.595 -0.24 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.74 -46.0 86.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.155 0.982 . . . . 0.0 110.601 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.26 -49.29 74.62 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.321 1.048 . . . . 0.0 109.739 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.51 -46.89 72.12 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 124.087 0.851 . . . . 0.0 112.641 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -65.28 -52.37 54.67 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.064 0.946 . . . . 0.0 111.416 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 pp -67.39 -31.33 71.47 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.158 0.435 . . . . 0.0 112.004 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -68.26 -46.99 68.9 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 123.421 0.689 . . . . 0.0 110.465 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -59.49 -46.47 88.72 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.388 1.075 . . . . 0.0 110.627 177.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.74 -51.53 69.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.544 1.138 . . . . 0.0 110.859 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.06 -47.34 85.59 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.181 0.992 . . . . 0.0 110.72 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -58.94 -49.15 78.94 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.606 0.762 . . . . 0.0 110.934 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp . . . . . 0 N--CA 1.455 -0.215 0 C-N-CA 124.309 1.044 . . . . 0.0 111.272 -177.058 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.8 t . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 119.58 -0.248 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.17 -51.67 69.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.773 0.829 . . . . 0.0 110.79 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 mt -57.52 -44.18 84.85 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.92 0.888 . . . . 0.0 111.085 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.19 -44.37 98.22 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 123.838 0.733 . . . . 0.0 111.792 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.61 -52.84 55.37 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.069 0.948 . . . . 0.0 111.137 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.07 -35.09 79.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 117.932 0.333 . . . . 0.0 111.677 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.9 t -62.75 -48.19 80.27 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 122.808 0.443 . . . . 0.0 110.399 176.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -60.27 -47.86 84.21 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.679 0.792 . . . . 0.0 110.653 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -54.1 -55.12 30.65 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.998 0.919 . . . . 0.0 110.93 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.1 mt -59.13 -42.95 91.86 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.991 0.916 . . . . 0.0 111.359 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -60.42 -50.83 72.04 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.221 0.608 . . . . 0.0 111.086 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp . . . . . 0 CA--C 1.53 0.211 0 C-N-CA 124.128 0.971 . . . . 0.0 111.153 -176.357 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.9 t . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 119.472 -0.299 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.96 -52.48 58.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.685 0.794 . . . . 0.0 110.616 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.29 -43.44 83.18 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.933 0.893 . . . . 0.0 111.047 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.89 -45.44 96.53 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.879 0.752 . . . . 0.0 111.79 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -65.17 -51.75 59.15 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.078 0.951 . . . . 0.0 111.245 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.92 -35.64 80.45 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 119.329 -0.367 . . . . 0.0 111.627 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -63.25 -47.38 82.65 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 122.915 0.486 . . . . 0.0 110.475 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -59.23 -44.37 92.31 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.459 1.103 . . . . 0.0 111.028 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.86 -53.07 59.85 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.784 0.834 . . . . 0.0 110.867 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.1 mt -58.7 -42.81 89.5 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.877 0.871 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -61.16 -46.3 91.1 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.288 0.635 . . . . 0.0 111.072 175.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? . . . . . 0 N--CA 1.455 -0.203 0 C-N-CA 123.809 0.844 . . . . 0.0 111.11 -174.454 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.6 t . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 119.596 -0.24 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.27 -49.74 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.958 0.903 . . . . 0.0 110.551 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.1 mt -58.76 -45.06 90.62 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.111 0.965 . . . . 0.0 111.028 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.89 -45.19 97.03 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.856 0.741 . . . . 0.0 111.754 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -61.06 -55.61 30.68 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.766 1.226 . . . . 0.0 111.023 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.06 -35.36 79.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.781 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.9 t -62.58 -48.71 78.24 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 118.267 0.485 . . . . 0.0 110.32 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -57.57 -48.72 78.59 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 124.322 1.049 . . . . 0.0 110.662 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -61.04 -51.87 67.36 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.843 0.857 . . . . 0.0 111.146 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.6 mt -62.14 -41.5 98.33 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.502 0.721 . . . . 0.0 111.077 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -68.74 -36.6 78.6 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.211 0.605 . . . . 0.0 111.772 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 tptm . . . . . 0 C--N 1.341 0.209 0 C-N-CA 123.741 0.817 . . . . 0.0 110.199 177.943 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 119.882 -0.104 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.96 -50.38 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 124.113 0.965 . . . . 0.0 110.227 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -56.19 -48.33 76.57 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.445 1.098 . . . . 0.0 110.542 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.75 -46.65 93.13 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.108 0.861 . . . . 0.0 111.793 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -61.97 -56.01 23.55 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.81 0.844 . . . . 0.0 111.104 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.74 -36.21 83.57 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.11 0.414 . . . . 0.0 111.744 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.9 t -61.8 -52.5 63.95 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 122.93 0.492 . . . . 0.0 110.352 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -56.69 -48.73 77.01 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 124.658 1.183 . . . . 0.0 111.036 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.62 -57.71 10.95 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.512 1.125 . . . . 0.0 110.857 -175.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.8 mt -59.33 -41.68 89.72 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.078 0.951 . . . . 0.0 111.245 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -60.71 -51.04 71.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.771 0.429 . . . . 0.0 110.806 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.5 tptm . . . . . 0 N--CA 1.455 -0.224 0 C-N-CA 124.023 0.929 . . . . 0.0 111.138 -173.896 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 p . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.79 -53.53 37.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 123.348 0.659 . . . . 0.0 110.189 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.4 mt -57.97 -41.29 82.62 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.607 0.763 . . . . 0.0 110.992 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.72 -47.15 92.63 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.194 0.902 . . . . 0.0 111.787 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -61.28 -49.95 74.97 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.974 0.91 . . . . 0.0 110.782 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.9 mt -60.97 -46.06 92.25 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.871 0.868 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.0 t -58.7 -46.71 86.69 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.925 0.89 . . . . 0.0 111.107 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.68 -36.42 80.64 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.078 0.551 . . . . 0.0 111.261 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.55 -57.88 8.76 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.059 0.944 . . . . 0.0 110.681 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.42 -31.48 72.18 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.491 0.316 . . . . 0.0 111.769 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.01 -58.19 6.74 Favored 'General case' 0 C--N 1.341 0.223 0 C-N-CA 123.735 0.814 . . . . 0.0 110.418 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? . . . . . 0 C--N 1.34 0.194 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.281 -171.572 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.7 t . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.0 t -60.77 -51.21 75.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 C-N-CA 124.041 0.937 . . . . 0.0 110.483 -174.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.2 mt -56.63 -40.53 75.54 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.787 0.835 . . . . 0.0 111.158 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.6 -46.78 93.76 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.268 0.937 . . . . 0.0 111.936 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.48 -41.22 89.27 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.117 0.967 . . . . 0.0 111.318 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.6 -44.58 90.15 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.465 0.706 . . . . 0.0 110.734 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 t -62.39 -44.86 95.44 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.795 0.838 . . . . 0.0 110.961 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -59.48 -49.23 78.57 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.45 1.1 . . . . 0.0 110.463 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.87 -46.47 89.21 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.377 1.071 . . . . 0.0 111.131 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.58 -47.27 86.92 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.91 0.884 . . . . 0.0 110.607 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -64.6 -45.6 86.23 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.754 0.821 . . . . 0.0 111.536 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp . . . . . 0 N--CA 1.455 -0.196 0 C-N-CA 124.626 1.17 . . . . 0.0 110.987 -176.294 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 119.685 -0.198 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.06 -51.68 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 124.051 0.94 . . . . 0.0 110.466 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.7 mt -58.59 -45.73 88.45 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.081 0.952 . . . . 0.0 110.976 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.27 -44.42 97.5 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.815 0.721 . . . . 0.0 111.844 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -62.74 -55.52 25.95 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.56 1.144 . . . . 0.0 111.078 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.6 -34.75 78.58 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 119.398 -0.334 . . . . 0.0 111.802 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 t -62.24 -51.83 66.17 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.02 0.528 . . . . 0.0 110.172 176.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -57.41 -44.0 84.24 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 123.997 0.919 . . . . 0.0 111.124 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -60.11 -49.39 77.85 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.313 0.645 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.9 mt -58.74 -41.25 86.02 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.554 0.741 . . . . 0.0 111.163 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -65.27 -43.14 92.18 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.11 0.564 . . . . 0.0 110.958 176.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm . . . . . 0 N--CA 1.456 -0.165 0 C-N-CA 125.012 1.325 . . . . 0.0 110.9 -175.827 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -155.97 -34.51 0.09 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.717 1.207 . . . . 0.0 110.862 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -47.02 80.92 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.538 0.735 . . . . 0.0 110.948 -177.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.7 mt 61.48 43.15 10.58 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.451 1.5 . . . . 0.0 110.715 -172.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -167.37 -66.42 0.03 OUTLIER 'General case' 0 C--N 1.34 0.169 0 C-N-CA 125.41 1.484 . . . . 0.0 107.783 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.8 m -63.23 -30.11 71.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.947 0.899 . . . . 0.0 109.89 167.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 t -53.26 -58.54 6.7 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.332 1.053 . . . . 0.0 110.009 168.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.6 t -61.63 -55.49 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 124.401 1.08 . . . . 0.0 110.385 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.6 mt -58.53 -48.1 81.98 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.577 1.151 . . . . 0.0 111.313 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.59 -43.07 99.53 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 123.685 0.659 . . . . 0.0 111.912 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -62.79 -54.49 38.14 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.112 0.965 . . . . 0.0 111.004 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.65 -34.18 77.29 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.5 t -64.31 -50.33 68.26 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.874 0.47 . . . . 0.0 110.298 176.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -58.45 -42.26 86.98 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.479 1.112 . . . . 0.0 111.19 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.53 -48.15 83.04 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.717 0.807 . . . . 0.0 110.804 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.5 mt -62.77 -33.59 75.49 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.081 0.552 . . . . 0.0 111.676 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -70.06 -44.35 69.35 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.386 0.539 . . . . 0.0 110.867 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -66.11 -60.38 2.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.45 1.1 . . . . 0.0 110.769 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 mt -71.57 -62.83 1.27 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.674 0.789 . . . . 0.0 109.361 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 56.21 42.35 28.17 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.198 1.399 . . . . 0.0 111.632 177.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m 58.08 32.19 21.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.28 1.432 . . . . 0.0 111.481 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 51.11 78.32 0.41 Allowed Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 125.936 1.694 . . . . 0.0 112.838 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -81.09 70.53 7.46 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.761 2.974 . . . . 0.0 109.585 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -68.94 -57.11 5.95 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.966 0.906 . . . . 0.0 109.657 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.7 m -148.39 141.6 25.08 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 125.277 1.431 . . . . 0.0 107.835 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -148.52 91.87 1.94 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.954 0.901 . . . . 0.0 108.727 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -153.31 -42.71 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 124.296 1.038 . . . . 0.0 110.403 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 174.2 -54.63 0.14 Allowed Glycine 0 C--N 1.339 0.734 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.49 -52.44 57.9 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.022 0.929 . . . . 0.0 110.981 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.92 54.61 9.18 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 110.816 -0.913 . . . . 0.0 110.816 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.4 p -75.23 148.99 84.33 Favored Pre-proline 0 CA--C 1.536 0.413 0 C-N-CA 123.986 0.914 . . . . 0.0 110.548 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.65 -40.74 3.67 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.217 2.611 . . . . 0.0 111.166 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.045 0 O-C-N 122.013 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 57.6 m . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m 76.18 -55.67 0.59 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 126.553 1.941 . . . . 0.0 111.712 -177.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -64.56 -44.26 91.3 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.433 0.693 . . . . 0.0 112.087 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.3 mt 54.49 53.81 10.23 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.546 1.138 . . . . 0.0 110.605 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -153.67 -67.82 0.14 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.191 0.997 . . . . 0.0 108.492 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.1 m -62.48 -43.32 99.09 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.767 0.827 . . . . 0.0 108.879 168.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 t -53.44 -54.21 40.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.338 1.455 . . . . 0.0 111.178 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.36 -51.82 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.821 0.848 . . . . 0.0 110.845 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.8 mt -55.72 -41.08 73.33 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.263 1.025 . . . . 0.0 111.22 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.42 -52.7 51.0 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.051 0.834 . . . . 0.0 111.712 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -67.22 -44.36 79.72 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.774 0.829 . . . . 0.0 112.338 -174.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.98 -36.09 82.36 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.75 0.705 . . . . 0.0 111.333 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.7 t -64.86 -46.05 83.47 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.971 0.351 . . . . 0.0 110.428 174.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -59.22 -52.52 65.33 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.607 1.163 . . . . 0.0 111.297 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.25 -38.68 82.05 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.238 0.615 . . . . 0.0 111.926 -174.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.1 mt -66.56 -38.95 88.18 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.711 0.404 . . . . 0.0 110.863 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -66.61 -44.14 82.9 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.05 0.54 . . . . 0.0 111.142 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -64.34 -60.67 2.9 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.695 1.198 . . . . 0.0 110.479 -176.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.4 mt -72.76 -59.94 2.47 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.931 0.893 . . . . 0.0 109.666 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 54.31 44.78 28.48 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.492 1.517 . . . . 0.0 111.312 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 m 55.85 50.39 14.16 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.626 1.57 . . . . 0.0 111.15 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.7 p90 39.93 70.05 1.59 Allowed Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 126.319 1.848 . . . . 0.0 113.633 168.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -63.02 -49.86 4.48 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.911 2.408 . . . . 0.0 109.884 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.56 101.68 8.42 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.99 -1.856 . . . . 0.0 105.99 161.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.1 m -66.67 -68.5 0.37 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.812 0.845 . . . . 0.0 110.613 -173.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.8 t70 68.69 135.69 0.03 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 126.48 1.912 . . . . 0.0 111.919 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.4 t -74.23 -75.75 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 174.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.7 -77.53 0.93 Allowed Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.72 64.97 0.99 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.162 1.385 . . . . 0.0 107.839 173.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.84 132.32 4.29 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 109.861 -1.296 . . . . 0.0 109.861 -173.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.8 p -65.99 143.43 98.44 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 123.628 0.771 . . . . 0.0 111.139 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.13 165.89 31.48 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.607 2.871 . . . . 0.0 110.753 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.036 0 O-C-N 122.27 -0.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 121.095 0.474 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 p -152.33 -48.7 0.1 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.9 1.68 . . . . 0.0 108.573 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -62.81 -40.53 97.66 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 123.48 0.712 . . . . 0.0 110.219 163.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.9 mt 60.26 51.92 5.22 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 125.134 1.374 . . . . 0.0 109.254 -170.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -158.19 -58.82 0.08 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.019 1.328 . . . . 0.0 108.35 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.1 p -64.12 -44.7 91.43 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.723 0.809 . . . . 0.0 109.965 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.5 t -61.01 -47.69 85.28 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.523 1.129 . . . . 0.0 110.627 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.74 -46.0 86.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.155 0.982 . . . . 0.0 110.601 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.26 -49.29 74.62 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.321 1.048 . . . . 0.0 109.739 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.51 -46.89 72.12 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 124.087 0.851 . . . . 0.0 112.641 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -65.28 -52.37 54.67 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.064 0.946 . . . . 0.0 111.416 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 pp -67.39 -31.33 71.47 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.158 0.435 . . . . 0.0 112.004 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -68.26 -46.99 68.9 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 123.421 0.689 . . . . 0.0 110.465 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -59.49 -46.47 88.72 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.388 1.075 . . . . 0.0 110.627 177.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.74 -51.53 69.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.544 1.138 . . . . 0.0 110.859 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.06 -47.34 85.59 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.181 0.992 . . . . 0.0 110.72 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -58.94 -49.15 78.94 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.606 0.762 . . . . 0.0 110.934 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -56.55 -53.96 51.44 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.309 1.044 . . . . 0.0 111.272 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -70.67 -28.31 64.69 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -67.23 -54.07 24.32 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 118.454 0.57 . . . . 0.0 110.123 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 p -68.03 -42.61 80.32 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.7 0.8 . . . . 0.0 111.31 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -137.6 82.22 27.87 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 124.828 1.251 . . . . 0.0 109.151 -173.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.11 -37.67 10.38 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.731 2.287 . . . . 0.0 110.571 175.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -154.62 -170.1 3.42 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.887 1.275 . . . . 0.0 109.044 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.0 m -66.8 107.36 2.16 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.608 0.763 . . . . 0.0 108.989 174.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -134.71 157.97 45.32 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.897 1.279 . . . . 0.0 109.785 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 p -155.69 147.6 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 124.514 1.126 . . . . 0.0 109.15 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.63 75.54 0.09 OUTLIER Glycine 0 C--N 1.339 0.714 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.87 159.22 41.7 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.112 0.965 . . . . 0.0 110.073 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.28 -48.56 73.26 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.5 m -131.56 89.46 40.07 Favored Pre-proline 0 CA--C 1.534 0.333 0 C-N-CA 124.822 1.249 . . . . 0.0 107.819 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -56.03 149.44 52.77 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 124.06 3.173 . . . . 0.0 112.864 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.009 0 CA-C-N 116.718 -0.219 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.0 t . . . . . 0 N--CA 1.472 0.657 0 CA-C-O 119.578 -0.249 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -147.92 -61.32 0.26 Allowed 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.754 0.822 . . . . 0.0 110.145 -176.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -62.8 -28.23 69.85 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.617 1.167 . . . . 0.0 113.066 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.6 mt 57.41 59.98 3.09 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.427 1.091 . . . . 0.0 110.039 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 t -151.04 -67.24 0.19 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.48 1.112 . . . . 0.0 108.113 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.5 m -67.0 -40.15 87.28 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.398 0.679 . . . . 0.0 109.379 170.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.8 t -56.76 -49.18 76.03 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.363 1.065 . . . . 0.0 111.023 172.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.17 -51.67 69.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.773 0.829 . . . . 0.0 110.79 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 mt -57.52 -44.18 84.85 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.92 0.888 . . . . 0.0 111.085 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.19 -44.37 98.22 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 123.838 0.733 . . . . 0.0 111.792 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.61 -52.84 55.37 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.069 0.948 . . . . 0.0 111.137 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.07 -35.09 79.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 117.932 0.333 . . . . 0.0 111.677 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.9 t -62.75 -48.19 80.27 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 122.808 0.443 . . . . 0.0 110.399 176.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -60.27 -47.86 84.21 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.679 0.792 . . . . 0.0 110.653 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -54.1 -55.12 30.65 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.998 0.919 . . . . 0.0 110.93 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.1 mt -59.13 -42.95 91.86 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.991 0.916 . . . . 0.0 111.359 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -60.42 -50.83 72.04 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.221 0.608 . . . . 0.0 111.086 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -57.67 -51.99 67.25 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.128 0.971 . . . . 0.0 111.153 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.02 -31.44 67.93 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -67.51 -64.05 0.93 Allowed 'General case' 0 C--N 1.341 0.228 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 t -101.4 85.09 2.71 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.714 1.205 . . . . 0.0 108.644 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -57.27 -33.12 15.97 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-O 117.405 -1.283 . . . . 0.0 113.464 170.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.48 -42.62 53.16 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 121.771 1.647 . . . . 0.0 111.259 171.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 77.52 135.12 0.06 Allowed 'General case' 0 C--N 1.343 0.32 0 C-N-CA 125.739 1.616 . . . . 0.0 109.226 177.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.0 p -78.5 50.24 0.94 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.089 1.356 . . . . 0.0 111.623 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -154.39 -56.45 0.11 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 126.353 1.861 . . . . 0.0 108.085 175.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.96 -58.2 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 124.397 1.079 . . . . 0.0 109.987 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.73 55.42 4.54 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 109.981 -1.248 . . . . 0.0 109.981 -172.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.86 176.93 9.17 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.096 1.358 . . . . 0.0 111.87 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.96 76.1 0.39 Allowed Glycine 0 C--N 1.339 0.743 0 N-CA-C 108.739 -1.745 . . . . 0.0 108.739 176.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.3 m -60.29 -44.12 95.24 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 117.781 -1.104 . . . . 0.0 113.235 -173.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -57.22 148.49 69.9 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.107 2.538 . . . . 0.0 112.6 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.012 0 CA-C-N 116.753 -0.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 93.0 m . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 120.25 0.072 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -83.67 -58.12 2.94 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.107 0.963 . . . . 0.0 110.274 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -64.66 -39.56 93.89 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.743 0.817 . . . . 0.0 112.513 -175.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.1 mt 55.15 55.25 7.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.626 1.17 . . . . 0.0 110.296 -178.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -144.86 -65.79 0.33 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.49 1.116 . . . . 0.0 108.258 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.9 m -63.83 -44.43 93.26 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.849 0.86 . . . . 0.0 109.393 172.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.9 t -59.21 -46.57 88.08 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.644 1.177 . . . . 0.0 111.378 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.96 -52.48 58.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.685 0.794 . . . . 0.0 110.616 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.29 -43.44 83.18 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.933 0.893 . . . . 0.0 111.047 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.89 -45.44 96.53 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.879 0.752 . . . . 0.0 111.79 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -65.17 -51.75 59.15 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.078 0.951 . . . . 0.0 111.245 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.92 -35.64 80.45 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 119.329 -0.367 . . . . 0.0 111.627 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -63.25 -47.38 82.65 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 122.915 0.486 . . . . 0.0 110.475 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -59.23 -44.37 92.31 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.459 1.103 . . . . 0.0 111.028 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.86 -53.07 59.85 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.784 0.834 . . . . 0.0 110.867 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.1 mt -58.7 -42.81 89.5 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.877 0.871 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -61.16 -46.3 91.1 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.288 0.635 . . . . 0.0 111.072 175.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -61.13 -51.55 68.61 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.809 0.844 . . . . 0.0 111.11 -174.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 pp -69.07 -32.18 71.45 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -67.75 -52.48 36.94 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 123.13 0.572 . . . . 0.0 110.207 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.5 m -60.14 -47.49 85.71 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.693 1.197 . . . . 0.0 110.387 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.6 t80 55.12 67.92 2.86 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 125.585 1.554 . . . . 0.0 110.814 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.89 111.03 2.94 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.077 2.518 . . . . 0.0 108.918 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -71.74 109.35 5.57 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.978 0.511 . . . . 0.0 110.534 -173.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.5 p -76.1 -59.8 2.6 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.945 0.898 . . . . 0.0 109.838 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.7 170.5 8.52 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.559 1.144 . . . . 0.0 110.988 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.1 t -80.92 -49.47 18.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 124.746 1.219 . . . . 0.0 109.248 177.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.4 84.75 0.95 Allowed Glycine 0 C--N 1.341 0.833 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 68.08 161.16 0.18 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.06 1.744 . . . . 0.0 110.992 -170.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.0 50.14 4.35 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.2 t -171.68 141.89 1.3 Allowed Pre-proline 0 CA--C 1.535 0.382 0 C-N-CA 125.676 1.591 . . . . 0.0 108.034 -173.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -74.48 159.95 42.34 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 123.013 2.475 . . . . 0.0 110.781 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.042 0 CA-C-N 116.597 -0.274 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 119.062 -0.494 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 m 53.08 41.39 32.16 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.666 1.586 . . . . 0.0 113.754 169.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -151.27 -50.95 0.12 Allowed 'General case' 0 C--N 1.34 0.159 0 C-N-CA 123.934 0.893 . . . . 0.0 110.202 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.8 mt 59.61 42.17 17.68 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.192 1.397 . . . . 0.0 110.516 -168.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 t -164.2 -70.4 0.04 OUTLIER 'General case' 0 C--N 1.342 0.247 0 C-N-CA 124.724 1.209 . . . . 0.0 108.477 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.7 m -60.9 -40.91 94.86 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.124 0.97 . . . . 0.0 109.418 168.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.6 t -56.99 -49.01 77.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.448 1.499 . . . . 0.0 111.165 173.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.27 -49.74 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.958 0.903 . . . . 0.0 110.551 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.1 mt -58.76 -45.06 90.62 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.111 0.965 . . . . 0.0 111.028 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.89 -45.19 97.03 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.856 0.741 . . . . 0.0 111.754 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -61.06 -55.61 30.68 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.766 1.226 . . . . 0.0 111.023 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.06 -35.36 79.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.781 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.9 t -62.58 -48.71 78.24 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 118.267 0.485 . . . . 0.0 110.32 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -57.57 -48.72 78.59 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 124.322 1.049 . . . . 0.0 110.662 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -61.04 -51.87 67.36 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.843 0.857 . . . . 0.0 111.146 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.6 mt -62.14 -41.5 98.33 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.502 0.721 . . . . 0.0 111.077 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -68.74 -36.6 78.6 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.211 0.605 . . . . 0.0 111.772 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -63.52 -45.92 88.42 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.741 0.817 . . . . 0.0 110.199 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.1 mt -70.07 -84.0 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 174.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 65.12 -77.19 0.04 OUTLIER 'General case' 0 C--N 1.342 0.25 0 C-N-CA 126.938 2.095 . . . . 0.0 112.522 171.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 t -92.74 -44.07 8.72 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.323 1.449 . . . . 0.0 110.28 175.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.9 p90 39.04 67.68 2.26 Favored Pre-proline 0 CA--C 1.54 0.558 0 C-N-CA 126.721 2.008 . . . . 0.0 113.376 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -73.59 155.6 49.82 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.181 2.587 . . . . 0.0 110.834 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -64.87 -61.67 2.03 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.595 0.758 . . . . 0.0 109.503 178.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 t -73.5 146.41 44.9 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.361 0.664 . . . . 0.0 109.72 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -158.9 -56.99 0.07 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.67 0.788 . . . . 0.0 109.649 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.65 145.88 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 124.477 1.111 . . . . 0.0 109.193 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 175.11 -68.43 0.1 OUTLIER Glycine 0 C--N 1.338 0.658 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 68.64 -74.82 0.07 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 126.639 1.975 . . . . 0.0 111.81 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.72 70.07 3.18 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.8 t -158.27 140.28 10.12 Favored Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 124.667 1.187 . . . . 0.0 108.651 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.4 -42.5 2.69 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.912 2.408 . . . . 0.0 111.187 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.017 0 O-C-N 122.181 -0.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 38.0 t . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 120.584 0.23 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.8 m -134.57 57.62 1.8 Allowed 'General case' 0 C--N 1.341 0.202 0 C-N-CA 124.328 1.051 . . . . 0.0 109.872 -174.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -177.33 -34.2 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.629 1.572 . . . . 0.0 110.682 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.5 mt 66.37 66.58 0.46 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 125.28 1.432 . . . . 0.0 110.166 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 t -150.01 -65.54 0.21 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.439 1.096 . . . . 0.0 108.633 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.3 p -67.12 -38.95 86.49 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.558 0.743 . . . . 0.0 109.764 171.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.18 -44.22 89.13 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.885 1.274 . . . . 0.0 110.845 177.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.96 -50.38 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 124.113 0.965 . . . . 0.0 110.227 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -56.19 -48.33 76.57 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.445 1.098 . . . . 0.0 110.542 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.75 -46.65 93.13 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.108 0.861 . . . . 0.0 111.793 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -61.97 -56.01 23.55 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.81 0.844 . . . . 0.0 111.104 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.74 -36.21 83.57 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.11 0.414 . . . . 0.0 111.744 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.9 t -61.8 -52.5 63.95 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 122.93 0.492 . . . . 0.0 110.352 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -56.69 -48.73 77.01 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 124.658 1.183 . . . . 0.0 111.036 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.62 -57.71 10.95 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.512 1.125 . . . . 0.0 110.857 -175.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.8 mt -59.33 -41.68 89.72 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.078 0.951 . . . . 0.0 111.245 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -60.71 -51.04 71.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.771 0.429 . . . . 0.0 110.806 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -59.12 -55.96 28.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.023 0.929 . . . . 0.0 111.138 -173.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -61.97 -32.3 72.73 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.71 -50.67 62.06 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 123.189 0.596 . . . . 0.0 109.688 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.2 p -83.86 43.88 0.95 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.28 1.032 . . . . 0.0 111.091 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -156.5 82.97 3.33 Favored Pre-proline 0 CA--C 1.533 0.293 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 177.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -53.0 119.58 6.32 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 124.241 3.294 . . . . 0.0 110.867 174.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.41 87.22 0.09 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.903 1.281 . . . . 0.0 109.068 -169.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.8 m -76.92 129.49 36.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.7 0.8 . . . . 0.0 109.156 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -157.6 179.51 9.16 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.276 1.03 . . . . 0.0 109.966 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -153.9 145.75 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 124.203 1.001 . . . . 0.0 109.232 177.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.01 73.53 2.62 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.61 76.63 0.34 Allowed 'General case' 0 C--N 1.341 0.212 0 C-N-CA 125.413 1.485 . . . . 0.0 110.944 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.0 72.74 2.42 Favored Glycine 0 C--N 1.34 0.799 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.5 p -131.78 73.58 78.63 Favored Pre-proline 0 CA--C 1.535 0.402 0 C-N-CA 125.157 1.383 . . . . 0.0 109.283 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.11 83.05 2.21 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 123.688 2.925 . . . . 0.0 110.312 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.003 0 O-C-N 122.088 -0.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 121.197 0.522 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -83.97 -45.63 12.94 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.585 1.154 . . . . 0.0 110.13 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -60.91 -33.69 73.52 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.251 1.02 . . . . 0.0 112.496 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.8 mt 58.07 61.66 2.28 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.742 1.217 . . . . 0.0 110.37 178.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -150.87 -71.44 0.17 Allowed 'General case' 0 C--N 1.339 0.152 0 C-N-CA 123.25 0.62 . . . . 0.0 110.142 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.2 p -63.91 -50.06 70.21 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.045 0.538 . . . . 0.0 109.723 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 p -60.15 -39.04 84.96 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.31 1.444 . . . . 0.0 112.212 176.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.79 -53.53 37.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 123.348 0.659 . . . . 0.0 110.189 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.4 mt -57.97 -41.29 82.62 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.607 0.763 . . . . 0.0 110.992 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.72 -47.15 92.63 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.194 0.902 . . . . 0.0 111.787 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -61.28 -49.95 74.97 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.974 0.91 . . . . 0.0 110.782 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.9 mt -60.97 -46.06 92.25 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.871 0.868 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.0 t -58.7 -46.71 86.69 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.925 0.89 . . . . 0.0 111.107 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.68 -36.42 80.64 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.078 0.551 . . . . 0.0 111.261 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.55 -57.88 8.76 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.059 0.944 . . . . 0.0 110.681 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.42 -31.48 72.18 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.491 0.316 . . . . 0.0 111.769 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.01 -58.19 6.74 Favored 'General case' 0 C--N 1.341 0.223 0 C-N-CA 123.735 0.814 . . . . 0.0 110.418 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -63.04 -44.42 95.92 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.281 -171.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.78 -32.28 73.47 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.667 0.667 . . . . 0.0 111.839 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.57 -60.89 2.0 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.368 0.667 . . . . 0.0 110.168 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.9 p -70.29 -26.73 63.94 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.746 0.818 . . . . 0.0 112.376 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -129.92 99.96 19.63 Favored Pre-proline 0 CA--C 1.532 0.26 0 C-N-CA 124.795 1.238 . . . . 0.0 108.162 175.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.57 77.54 2.94 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.417 2.745 . . . . 0.0 109.244 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.8 ttp-105 -168.28 126.95 1.17 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.539 1.536 . . . . 0.0 107.677 -169.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.8 m -65.35 -50.69 64.65 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.808 0.843 . . . . 0.0 110.227 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -71.4 96.71 1.51 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.5 1.12 . . . . 0.0 110.216 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 m 58.63 173.17 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 127.543 2.337 . . . . 0.0 114.193 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 172.02 -117.19 0.66 Allowed Glycine 0 C--N 1.338 0.672 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.17 -37.14 75.11 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.318 0.647 . . . . 0.0 110.252 172.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.72 70.56 3.01 Favored Glycine 0 C--N 1.342 0.866 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.7 m -77.98 124.83 86.07 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 124.531 1.132 . . . . 0.0 108.907 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -52.57 143.56 45.35 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 123.879 3.053 . . . . 0.0 113.086 176.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.001 0 O-C-N 122.414 -0.179 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 120.638 0.256 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -69.58 -52.51 25.45 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 167.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -80.72 178.2 8.52 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.014 1.326 . . . . 0.0 110.927 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.19 54.86 1.55 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.792 1.237 . . . . 0.0 109.387 177.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 p -150.8 -65.72 0.19 Allowed 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.91 0.884 . . . . 0.0 109.745 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.6 m -68.04 -35.91 79.04 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.83 0.852 . . . . 0.0 109.359 171.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.7 t -50.97 -56.5 12.15 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 125.0 1.32 . . . . 0.0 110.387 166.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.0 t -60.77 -51.21 75.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 C-N-CA 124.041 0.937 . . . . 0.0 110.483 -174.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.2 mt -56.63 -40.53 75.54 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.787 0.835 . . . . 0.0 111.158 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.6 -46.78 93.76 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.268 0.937 . . . . 0.0 111.936 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.48 -41.22 89.27 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.117 0.967 . . . . 0.0 111.318 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.6 -44.58 90.15 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.465 0.706 . . . . 0.0 110.734 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 t -62.39 -44.86 95.44 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.795 0.838 . . . . 0.0 110.961 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -59.48 -49.23 78.57 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.45 1.1 . . . . 0.0 110.463 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.87 -46.47 89.21 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.377 1.071 . . . . 0.0 111.131 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.58 -47.27 86.92 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.91 0.884 . . . . 0.0 110.607 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -64.6 -45.6 86.23 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.754 0.821 . . . . 0.0 111.536 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -61.95 -56.47 18.79 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.626 1.17 . . . . 0.0 110.987 -176.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.7 mt -72.75 -67.4 0.56 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.358 0.663 . . . . 0.0 109.591 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? 71.87 -65.22 0.36 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.546 1.938 . . . . 0.0 112.055 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -65.63 -42.4 91.54 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.693 0.797 . . . . 0.0 111.696 -177.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -66.41 -58.93 9.22 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.095 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -69.67 161.1 47.21 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.461 2.107 . . . . 0.0 111.034 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.9 mtp-105 -80.31 87.71 5.57 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.527 0.731 . . . . 0.0 109.074 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.8 m -79.2 80.42 5.56 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -79.28 132.89 36.61 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.873 0.869 . . . . 0.0 110.342 -173.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.7 t -63.84 -55.35 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 123.839 0.856 . . . . 0.0 108.8 174.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.59 -177.12 51.6 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 172.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.71 98.83 7.14 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.744 0.817 . . . . 0.0 109.754 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.21 -54.46 4.88 Favored Glycine 0 C--N 1.341 0.827 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.9 m -79.24 130.53 68.79 Favored Pre-proline 0 CA--C 1.534 0.353 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 174.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -79.36 71.52 6.99 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 123.49 2.793 . . . . 0.0 110.359 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.009 0 O-C-N 121.942 -0.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.6 t . . . . . 0 N--CA 1.474 0.775 0 CA-C-O 121.098 0.475 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -82.91 -44.03 15.85 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.643 1.177 . . . . 0.0 111.017 -176.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -63.26 -43.33 98.27 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.377 1.071 . . . . 0.0 111.982 -173.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.4 mt 59.67 49.11 8.61 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.644 1.178 . . . . 0.0 109.663 -169.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.6 t -157.13 -64.73 0.1 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.613 1.165 . . . . 0.0 108.451 -177.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.5 p -62.62 -41.77 99.19 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.225 0.61 . . . . 0.0 109.476 170.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.71 -46.48 90.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.774 1.23 . . . . 0.0 111.043 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.06 -51.68 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 124.051 0.94 . . . . 0.0 110.466 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.7 mt -58.59 -45.73 88.45 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.081 0.952 . . . . 0.0 110.976 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.27 -44.42 97.5 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.815 0.721 . . . . 0.0 111.844 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -62.74 -55.52 25.95 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.56 1.144 . . . . 0.0 111.078 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.6 -34.75 78.58 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 119.398 -0.334 . . . . 0.0 111.802 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 t -62.24 -51.83 66.17 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.02 0.528 . . . . 0.0 110.172 176.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -57.41 -44.0 84.24 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 123.997 0.919 . . . . 0.0 111.124 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -60.11 -49.39 77.85 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.313 0.645 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.9 mt -58.74 -41.25 86.02 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.554 0.741 . . . . 0.0 111.163 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -65.27 -43.14 92.18 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.11 0.564 . . . . 0.0 110.958 176.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -61.1 -54.09 48.97 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 125.012 1.325 . . . . 0.0 110.9 -175.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 pp -66.58 -17.49 64.85 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -87.63 -17.98 30.67 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.438 1.095 . . . . 0.0 111.913 176.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.0 m -60.98 -53.45 57.05 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 123.74 0.816 . . . . 0.0 111.234 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -70.05 -47.57 21.74 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-O 118.352 -0.832 . . . . 0.0 111.918 -170.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -57.82 -34.7 98.62 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.215 2.61 . . . . 0.0 112.322 168.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 76.55 -74.13 0.08 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 127.078 2.151 . . . . 0.0 111.095 177.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.8 m -86.13 65.55 9.14 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.26 1.024 . . . . 0.0 109.302 -172.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.1 t0 52.67 -95.65 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.715 2.006 . . . . 0.0 111.477 -176.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.502 HG13 ' H ' ' A' ' 28' ' ' GLY 0.32 12.2 p 40.9 -76.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 129.603 3.161 . . . . 0.0 114.969 179.244 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.502 ' H ' HG13 ' A' ' 27' ' ' VAL . . . -82.04 54.98 4.9 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 172.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -163.67 -159.98 0.55 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.495 1.518 . . . . 0.0 108.533 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.09 75.37 1.54 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 124.097 0.856 . . . . 0.0 111.513 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.0 m -65.48 -42.87 60.27 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 124.519 1.127 . . . . 0.0 112.275 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.25 149.97 69.48 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.867 2.378 . . . . 0.0 112.577 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.034 0 CA-C-N 116.78 -0.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 t . . . . . 0 N--CA 1.455 -0.208 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.6 t -61.63 -55.49 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 124.401 1.08 . . . . 0.0 110.385 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.6 mt -58.53 -48.1 81.98 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.577 1.151 . . . . 0.0 111.313 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.59 -43.07 99.53 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 123.685 0.659 . . . . 0.0 111.912 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -62.79 -54.49 38.14 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.112 0.965 . . . . 0.0 111.004 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.65 -34.18 77.29 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.5 t -64.31 -50.33 68.26 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.874 0.47 . . . . 0.0 110.298 176.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -58.45 -42.26 86.98 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.479 1.112 . . . . 0.0 111.19 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.53 -48.15 83.04 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.717 0.807 . . . . 0.0 110.804 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.5 mt -62.77 -33.59 75.49 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.081 0.552 . . . . 0.0 111.676 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -70.06 -44.35 69.35 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.386 0.539 . . . . 0.0 110.867 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.8 tttp . . . . . 0 N--CA 1.455 -0.211 0 C-N-CA 124.45 1.1 . . . . 0.0 110.769 -176.015 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 119.418 -0.325 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.36 -51.82 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.821 0.848 . . . . 0.0 110.845 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.8 mt -55.72 -41.08 73.33 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.263 1.025 . . . . 0.0 111.22 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.42 -52.7 51.0 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.051 0.834 . . . . 0.0 111.712 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -67.22 -44.36 79.72 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.774 0.829 . . . . 0.0 112.338 -174.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.98 -36.09 82.36 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.75 0.705 . . . . 0.0 111.333 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.7 t -64.86 -46.05 83.47 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.971 0.351 . . . . 0.0 110.428 174.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -59.22 -52.52 65.33 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.607 1.163 . . . . 0.0 111.297 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.25 -38.68 82.05 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.238 0.615 . . . . 0.0 111.926 -174.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.1 mt -66.56 -38.95 88.18 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.711 0.404 . . . . 0.0 110.863 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -66.61 -44.14 82.9 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.05 0.54 . . . . 0.0 111.142 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? . . . . . 0 N--CA 1.456 -0.171 0 C-N-CA 124.695 1.198 . . . . 0.0 110.479 -176.517 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.5 t . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 119.595 -0.24 . . . . 0.0 110.627 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.74 -46.0 86.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.155 0.982 . . . . 0.0 110.601 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.26 -49.29 74.62 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.321 1.048 . . . . 0.0 109.739 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.51 -46.89 72.12 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 124.087 0.851 . . . . 0.0 112.641 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -65.28 -52.37 54.67 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.064 0.946 . . . . 0.0 111.416 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 pp -67.39 -31.33 71.47 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.158 0.435 . . . . 0.0 112.004 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -68.26 -46.99 68.9 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 123.421 0.689 . . . . 0.0 110.465 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -59.49 -46.47 88.72 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.388 1.075 . . . . 0.0 110.627 177.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.74 -51.53 69.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.544 1.138 . . . . 0.0 110.859 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.06 -47.34 85.59 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.181 0.992 . . . . 0.0 110.72 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -58.94 -49.15 78.94 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.606 0.762 . . . . 0.0 110.934 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp . . . . . 0 N--CA 1.455 -0.215 0 C-N-CA 124.309 1.044 . . . . 0.0 111.272 -177.058 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.8 t . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 119.58 -0.248 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.17 -51.67 69.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.773 0.829 . . . . 0.0 110.79 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 mt -57.52 -44.18 84.85 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.92 0.888 . . . . 0.0 111.085 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.19 -44.37 98.22 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 123.838 0.733 . . . . 0.0 111.792 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.61 -52.84 55.37 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.069 0.948 . . . . 0.0 111.137 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.07 -35.09 79.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 117.932 0.333 . . . . 0.0 111.677 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.9 t -62.75 -48.19 80.27 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 122.808 0.443 . . . . 0.0 110.399 176.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -60.27 -47.86 84.21 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.679 0.792 . . . . 0.0 110.653 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -54.1 -55.12 30.65 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.998 0.919 . . . . 0.0 110.93 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.1 mt -59.13 -42.95 91.86 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.991 0.916 . . . . 0.0 111.359 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -60.42 -50.83 72.04 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.221 0.608 . . . . 0.0 111.086 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp . . . . . 0 CA--C 1.53 0.211 0 C-N-CA 124.128 0.971 . . . . 0.0 111.153 -176.357 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.9 t . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 119.472 -0.299 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.96 -52.48 58.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.685 0.794 . . . . 0.0 110.616 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.29 -43.44 83.18 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.933 0.893 . . . . 0.0 111.047 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.89 -45.44 96.53 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.879 0.752 . . . . 0.0 111.79 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -65.17 -51.75 59.15 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.078 0.951 . . . . 0.0 111.245 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.92 -35.64 80.45 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 119.329 -0.367 . . . . 0.0 111.627 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -63.25 -47.38 82.65 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 122.915 0.486 . . . . 0.0 110.475 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -59.23 -44.37 92.31 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.459 1.103 . . . . 0.0 111.028 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.86 -53.07 59.85 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.784 0.834 . . . . 0.0 110.867 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.1 mt -58.7 -42.81 89.5 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.877 0.871 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -61.16 -46.3 91.1 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.288 0.635 . . . . 0.0 111.072 175.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? . . . . . 0 N--CA 1.455 -0.203 0 C-N-CA 123.809 0.844 . . . . 0.0 111.11 -174.454 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.6 t . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 119.596 -0.24 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.27 -49.74 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.958 0.903 . . . . 0.0 110.551 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.1 mt -58.76 -45.06 90.62 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.111 0.965 . . . . 0.0 111.028 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.89 -45.19 97.03 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.856 0.741 . . . . 0.0 111.754 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -61.06 -55.61 30.68 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.766 1.226 . . . . 0.0 111.023 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.06 -35.36 79.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.781 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.9 t -62.58 -48.71 78.24 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 118.267 0.485 . . . . 0.0 110.32 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -57.57 -48.72 78.59 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 124.322 1.049 . . . . 0.0 110.662 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -61.04 -51.87 67.36 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.843 0.857 . . . . 0.0 111.146 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.6 mt -62.14 -41.5 98.33 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.502 0.721 . . . . 0.0 111.077 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -68.74 -36.6 78.6 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.211 0.605 . . . . 0.0 111.772 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 tptm . . . . . 0 C--N 1.341 0.209 0 C-N-CA 123.741 0.817 . . . . 0.0 110.199 177.943 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 119.882 -0.104 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.96 -50.38 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 124.113 0.965 . . . . 0.0 110.227 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -56.19 -48.33 76.57 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.445 1.098 . . . . 0.0 110.542 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.75 -46.65 93.13 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.108 0.861 . . . . 0.0 111.793 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -61.97 -56.01 23.55 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.81 0.844 . . . . 0.0 111.104 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.74 -36.21 83.57 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.11 0.414 . . . . 0.0 111.744 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.9 t -61.8 -52.5 63.95 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 122.93 0.492 . . . . 0.0 110.352 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -56.69 -48.73 77.01 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 124.658 1.183 . . . . 0.0 111.036 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.62 -57.71 10.95 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.512 1.125 . . . . 0.0 110.857 -175.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.8 mt -59.33 -41.68 89.72 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.078 0.951 . . . . 0.0 111.245 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -60.71 -51.04 71.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.771 0.429 . . . . 0.0 110.806 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.5 tptm . . . . . 0 N--CA 1.455 -0.224 0 C-N-CA 124.023 0.929 . . . . 0.0 111.138 -173.896 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 p . . . . . 0 CA--C 1.532 0.272 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.79 -53.53 37.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 123.348 0.659 . . . . 0.0 110.189 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.4 mt -57.97 -41.29 82.62 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.607 0.763 . . . . 0.0 110.992 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.72 -47.15 92.63 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.194 0.902 . . . . 0.0 111.787 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -61.28 -49.95 74.97 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.974 0.91 . . . . 0.0 110.782 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.9 mt -60.97 -46.06 92.25 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.871 0.868 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.0 t -58.7 -46.71 86.69 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.925 0.89 . . . . 0.0 111.107 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.68 -36.42 80.64 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.078 0.551 . . . . 0.0 111.261 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.55 -57.88 8.76 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.059 0.944 . . . . 0.0 110.681 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.42 -31.48 72.18 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.491 0.316 . . . . 0.0 111.769 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.01 -58.19 6.74 Favored 'General case' 0 C--N 1.341 0.223 0 C-N-CA 123.735 0.814 . . . . 0.0 110.418 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? . . . . . 0 C--N 1.34 0.194 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.281 -171.572 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.7 t . . . . . 0 CA--C 1.53 0.197 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.0 t -60.77 -51.21 75.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 C-N-CA 124.041 0.937 . . . . 0.0 110.483 -174.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.2 mt -56.63 -40.53 75.54 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.787 0.835 . . . . 0.0 111.158 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.6 -46.78 93.76 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.268 0.937 . . . . 0.0 111.936 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.48 -41.22 89.27 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.117 0.967 . . . . 0.0 111.318 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.6 -44.58 90.15 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.465 0.706 . . . . 0.0 110.734 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 t -62.39 -44.86 95.44 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.795 0.838 . . . . 0.0 110.961 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -59.48 -49.23 78.57 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.45 1.1 . . . . 0.0 110.463 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.87 -46.47 89.21 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.377 1.071 . . . . 0.0 111.131 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.58 -47.27 86.92 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.91 0.884 . . . . 0.0 110.607 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -64.6 -45.6 86.23 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.754 0.821 . . . . 0.0 111.536 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp . . . . . 0 N--CA 1.455 -0.196 0 C-N-CA 124.626 1.17 . . . . 0.0 110.987 -176.294 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.8 t . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 119.685 -0.198 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.06 -51.68 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 124.051 0.94 . . . . 0.0 110.466 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.7 mt -58.59 -45.73 88.45 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.081 0.952 . . . . 0.0 110.976 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.27 -44.42 97.5 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.815 0.721 . . . . 0.0 111.844 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -62.74 -55.52 25.95 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.56 1.144 . . . . 0.0 111.078 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.6 -34.75 78.58 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 119.398 -0.334 . . . . 0.0 111.802 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 t -62.24 -51.83 66.17 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.02 0.528 . . . . 0.0 110.172 176.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -57.41 -44.0 84.24 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 123.997 0.919 . . . . 0.0 111.124 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -60.11 -49.39 77.85 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.313 0.645 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.9 mt -58.74 -41.25 86.02 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.554 0.741 . . . . 0.0 111.163 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -65.27 -43.14 92.18 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.11 0.564 . . . . 0.0 110.958 176.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm . . . . . 0 N--CA 1.456 -0.165 0 C-N-CA 125.012 1.325 . . . . 0.0 110.9 -175.827 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.3 t -155.97 -34.51 0.09 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 124.717 1.207 . . . . 0.0 110.862 176.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.35 -47.02 80.92 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.538 0.735 . . . . 0.0 110.948 -177.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.7 mt 61.48 43.15 10.58 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.451 1.5 . . . . 0.0 110.715 -172.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -167.37 -66.42 0.03 OUTLIER 'General case' 0 C--N 1.34 0.169 0 C-N-CA 125.41 1.484 . . . . 0.0 107.783 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 79.8 m -63.23 -30.11 71.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.947 0.899 . . . . 0.0 109.89 167.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.8 t -53.26 -58.54 6.7 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 124.332 1.053 . . . . 0.0 110.009 168.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.6 t -61.63 -55.49 24.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 124.401 1.08 . . . . 0.0 110.385 -174.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.6 mt -58.53 -48.1 81.98 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.577 1.151 . . . . 0.0 111.313 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.59 -43.07 99.53 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 123.685 0.659 . . . . 0.0 111.912 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -62.79 -54.49 38.14 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.112 0.965 . . . . 0.0 111.004 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.65 -34.18 77.29 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 37.5 t -64.31 -50.33 68.26 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.874 0.47 . . . . 0.0 110.298 176.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -58.45 -42.26 86.98 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.479 1.112 . . . . 0.0 111.19 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -60.53 -48.15 83.04 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.717 0.807 . . . . 0.0 110.804 177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.5 mt -62.77 -33.59 75.49 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.081 0.552 . . . . 0.0 111.676 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.6 m170 -70.06 -44.35 69.35 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.386 0.539 . . . . 0.0 110.867 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -66.11 -60.38 2.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.45 1.1 . . . . 0.0 110.769 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.5 mt -71.57 -62.83 1.27 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.674 0.789 . . . . 0.0 109.361 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 56.21 42.35 28.17 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.198 1.399 . . . . 0.0 111.632 177.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.3 m 58.08 32.19 21.67 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.28 1.432 . . . . 0.0 111.481 -176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.0 m-85 51.11 78.32 0.41 Allowed Pre-proline 0 CA--C 1.537 0.445 0 C-N-CA 125.936 1.694 . . . . 0.0 112.838 173.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -81.09 70.53 7.46 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.761 2.974 . . . . 0.0 109.585 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -68.94 -57.11 5.95 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 123.966 0.906 . . . . 0.0 109.657 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.7 m -148.39 141.6 25.08 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 125.277 1.431 . . . . 0.0 107.835 175.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -148.52 91.87 1.94 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.954 0.901 . . . . 0.0 108.727 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -153.31 -42.71 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 124.296 1.038 . . . . 0.0 110.403 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 174.2 -54.63 0.14 Allowed Glycine 0 C--N 1.339 0.734 0 N-CA-C 110.064 -1.214 . . . . 0.0 110.064 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.49 -52.44 57.9 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.022 0.929 . . . . 0.0 110.981 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.92 54.61 9.18 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 110.816 -0.913 . . . . 0.0 110.816 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.4 p -75.23 148.99 84.33 Favored Pre-proline 0 CA--C 1.536 0.413 0 C-N-CA 123.986 0.914 . . . . 0.0 110.548 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.65 -40.74 3.67 Favored 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.217 2.611 . . . . 0.0 111.166 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.045 0 O-C-N 122.013 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 57.6 m . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.4 m 76.18 -55.67 0.59 Allowed 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 126.553 1.941 . . . . 0.0 111.712 -177.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -64.56 -44.26 91.3 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.433 0.693 . . . . 0.0 112.087 -178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 66.3 mt 54.49 53.81 10.23 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.546 1.138 . . . . 0.0 110.605 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -153.67 -67.82 0.14 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 124.191 0.997 . . . . 0.0 108.492 -178.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.1 m -62.48 -43.32 99.09 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.767 0.827 . . . . 0.0 108.879 168.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 t -53.44 -54.21 40.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.338 1.455 . . . . 0.0 111.178 171.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.36 -51.82 66.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.821 0.848 . . . . 0.0 110.845 -177.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.8 mt -55.72 -41.08 73.33 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.263 1.025 . . . . 0.0 111.22 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.42 -52.7 51.0 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 124.051 0.834 . . . . 0.0 111.712 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -67.22 -44.36 79.72 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.774 0.829 . . . . 0.0 112.338 -174.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.7 pp -65.98 -36.09 82.36 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.75 0.705 . . . . 0.0 111.333 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.7 t -64.86 -46.05 83.47 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 117.971 0.351 . . . . 0.0 110.428 174.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -59.22 -52.52 65.33 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.607 1.163 . . . . 0.0 111.297 -177.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -68.25 -38.68 82.05 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.238 0.615 . . . . 0.0 111.926 -174.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.1 mt -66.56 -38.95 88.18 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 122.711 0.404 . . . . 0.0 110.863 176.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -66.61 -44.14 82.9 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.05 0.54 . . . . 0.0 111.142 175.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -64.34 -60.67 2.9 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.695 1.198 . . . . 0.0 110.479 -176.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.4 mt -72.76 -59.94 2.47 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.931 0.893 . . . . 0.0 109.666 -176.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 54.31 44.78 28.48 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.492 1.517 . . . . 0.0 111.312 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.1 m 55.85 50.39 14.16 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.626 1.57 . . . . 0.0 111.15 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 22.7 p90 39.93 70.05 1.59 Allowed Pre-proline 0 CA--C 1.54 0.569 0 C-N-CA 126.319 1.848 . . . . 0.0 113.633 168.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -63.02 -49.86 4.48 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.911 2.408 . . . . 0.0 109.884 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.56 101.68 8.42 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 105.99 -1.856 . . . . 0.0 105.99 161.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 93.1 m -66.67 -68.5 0.37 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.812 0.845 . . . . 0.0 110.613 -173.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.8 t70 68.69 135.69 0.03 OUTLIER 'General case' 0 C--N 1.342 0.275 0 C-N-CA 126.48 1.912 . . . . 0.0 111.919 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 65.4 t -74.23 -75.75 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 174.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.7 -77.53 0.93 Allowed Glycine 0 CA--C 1.528 0.876 0 N-CA-C 110.031 -1.228 . . . . 0.0 110.031 -176.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.72 64.97 0.99 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.162 1.385 . . . . 0.0 107.839 173.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.84 132.32 4.29 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 109.861 -1.296 . . . . 0.0 109.861 -173.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 52.8 p -65.99 143.43 98.44 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 123.628 0.771 . . . . 0.0 111.139 -175.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.13 165.89 31.48 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.607 2.871 . . . . 0.0 110.753 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.036 0 O-C-N 122.27 -0.269 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 121.095 0.474 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.1 p -152.33 -48.7 0.1 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 125.9 1.68 . . . . 0.0 108.573 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -62.81 -40.53 97.66 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 123.48 0.712 . . . . 0.0 110.219 163.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.9 mt 60.26 51.92 5.22 Favored 'General case' 0 C--N 1.342 0.263 0 C-N-CA 125.134 1.374 . . . . 0.0 109.254 -170.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.6 t -158.19 -58.82 0.08 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.019 1.328 . . . . 0.0 108.35 -176.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.1 p -64.12 -44.7 91.43 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.723 0.809 . . . . 0.0 109.965 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.5 t -61.01 -47.69 85.28 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.523 1.129 . . . . 0.0 110.627 175.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.74 -46.0 86.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 124.155 0.982 . . . . 0.0 110.601 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.4 tt -56.26 -49.29 74.62 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.321 1.048 . . . . 0.0 109.739 174.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -54.51 -46.89 72.12 Favored Glycine 0 CA--C 1.532 1.105 0 C-N-CA 124.087 0.851 . . . . 0.0 112.641 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -65.28 -52.37 54.67 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.064 0.946 . . . . 0.0 111.416 -176.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.0 pp -67.39 -31.33 71.47 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 118.158 0.435 . . . . 0.0 112.004 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -68.26 -46.99 68.9 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 123.421 0.689 . . . . 0.0 110.465 176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -59.49 -46.47 88.72 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.388 1.075 . . . . 0.0 110.627 177.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -59.74 -51.53 69.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.544 1.138 . . . . 0.0 110.859 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.5 tp -59.06 -47.34 85.59 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.181 0.992 . . . . 0.0 110.72 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -58.94 -49.15 78.94 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.606 0.762 . . . . 0.0 110.934 177.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -56.55 -53.96 51.44 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.309 1.044 . . . . 0.0 111.272 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -70.67 -28.31 64.69 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -67.23 -54.07 24.32 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 118.454 0.57 . . . . 0.0 110.123 178.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.3 p -68.03 -42.61 80.32 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.7 0.8 . . . . 0.0 111.31 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -137.6 82.22 27.87 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 124.828 1.251 . . . . 0.0 109.151 -173.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -69.11 -37.67 10.38 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 122.731 2.287 . . . . 0.0 110.571 175.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -154.62 -170.1 3.42 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.887 1.275 . . . . 0.0 109.044 177.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.0 m -66.8 107.36 2.16 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.608 0.763 . . . . 0.0 108.989 174.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -134.71 157.97 45.32 Favored 'General case' 0 C--N 1.339 0.148 0 C-N-CA 124.897 1.279 . . . . 0.0 109.785 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 p -155.69 147.6 12.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 124.514 1.126 . . . . 0.0 109.15 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.63 75.54 0.09 OUTLIER Glycine 0 C--N 1.339 0.714 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -153.87 159.22 41.7 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.112 0.965 . . . . 0.0 110.073 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.28 -48.56 73.26 Favored Glycine 0 CA--C 1.528 0.904 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 177.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 72.5 m -131.56 89.46 40.07 Favored Pre-proline 0 CA--C 1.534 0.333 0 C-N-CA 124.822 1.249 . . . . 0.0 107.819 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -56.03 149.44 52.77 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 124.06 3.173 . . . . 0.0 112.864 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.009 0 CA-C-N 116.718 -0.219 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 39.0 t . . . . . 0 N--CA 1.472 0.657 0 CA-C-O 119.578 -0.249 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -147.92 -61.32 0.26 Allowed 'General case' 0 C--N 1.34 0.183 0 C-N-CA 123.754 0.822 . . . . 0.0 110.145 -176.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -62.8 -28.23 69.85 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 124.617 1.167 . . . . 0.0 113.066 -177.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.6 mt 57.41 59.98 3.09 Favored 'General case' 0 C--N 1.342 0.243 0 C-N-CA 124.427 1.091 . . . . 0.0 110.039 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 t -151.04 -67.24 0.19 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.48 1.112 . . . . 0.0 108.113 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.5 m -67.0 -40.15 87.28 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.398 0.679 . . . . 0.0 109.379 170.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.8 t -56.76 -49.18 76.03 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.363 1.065 . . . . 0.0 111.023 172.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.17 -51.67 69.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 123.773 0.829 . . . . 0.0 110.79 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 mt -57.52 -44.18 84.85 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.92 0.888 . . . . 0.0 111.085 178.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.19 -44.37 98.22 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 123.838 0.733 . . . . 0.0 111.792 177.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -64.61 -52.84 55.37 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.069 0.948 . . . . 0.0 111.137 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.07 -35.09 79.08 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 117.932 0.333 . . . . 0.0 111.677 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.9 t -62.75 -48.19 80.27 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 122.808 0.443 . . . . 0.0 110.399 176.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -60.27 -47.86 84.21 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.679 0.792 . . . . 0.0 110.653 177.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -54.1 -55.12 30.65 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.998 0.919 . . . . 0.0 110.93 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 67.1 mt -59.13 -42.95 91.86 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.991 0.916 . . . . 0.0 111.359 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -60.42 -50.83 72.04 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.221 0.608 . . . . 0.0 111.086 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -57.67 -51.99 67.25 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.128 0.971 . . . . 0.0 111.153 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -71.02 -31.44 67.93 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -67.51 -64.05 0.93 Allowed 'General case' 0 C--N 1.341 0.228 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.8 t -101.4 85.09 2.71 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.714 1.205 . . . . 0.0 108.644 174.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -57.27 -33.12 15.97 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-O 117.405 -1.283 . . . . 0.0 113.464 170.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -58.48 -42.62 53.16 Favored 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 121.771 1.647 . . . . 0.0 111.259 171.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 77.52 135.12 0.06 Allowed 'General case' 0 C--N 1.343 0.32 0 C-N-CA 125.739 1.616 . . . . 0.0 109.226 177.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 81.0 p -78.5 50.24 0.94 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.089 1.356 . . . . 0.0 111.623 -177.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -154.39 -56.45 0.11 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 126.353 1.861 . . . . 0.0 108.085 175.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.0 t -81.96 -58.2 3.92 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 124.397 1.079 . . . . 0.0 109.987 -176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.73 55.42 4.54 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 109.981 -1.248 . . . . 0.0 109.981 -172.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -81.86 176.93 9.17 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.096 1.358 . . . . 0.0 111.87 -176.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.96 76.1 0.39 Allowed Glycine 0 C--N 1.339 0.743 0 N-CA-C 108.739 -1.745 . . . . 0.0 108.739 176.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 29.3 m -60.29 -44.12 95.24 Favored Pre-proline 0 CA--C 1.539 0.533 0 CA-C-O 117.781 -1.104 . . . . 0.0 113.235 -173.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_exo -57.22 148.49 69.9 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 123.107 2.538 . . . . 0.0 112.6 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.012 0 CA-C-N 116.753 -0.203 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 93.0 m . . . . . 0 N--CA 1.473 0.701 0 CA-C-O 120.25 0.072 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.6 t -83.67 -58.12 2.94 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.107 0.963 . . . . 0.0 110.274 -178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -64.66 -39.56 93.89 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.743 0.817 . . . . 0.0 112.513 -175.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 38.1 mt 55.15 55.25 7.79 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.626 1.17 . . . . 0.0 110.296 -178.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -144.86 -65.79 0.33 Allowed 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.49 1.116 . . . . 0.0 108.258 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 59.9 m -63.83 -44.43 93.26 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.849 0.86 . . . . 0.0 109.393 172.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.9 t -59.21 -46.57 88.08 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.644 1.177 . . . . 0.0 111.378 175.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.96 -52.48 58.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.685 0.794 . . . . 0.0 110.616 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.4 mt -57.29 -43.44 83.18 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.933 0.893 . . . . 0.0 111.047 177.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.89 -45.44 96.53 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.879 0.752 . . . . 0.0 111.79 177.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -65.17 -51.75 59.15 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.078 0.951 . . . . 0.0 111.245 -176.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.92 -35.64 80.45 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 119.329 -0.367 . . . . 0.0 111.627 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -63.25 -47.38 82.65 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 122.915 0.486 . . . . 0.0 110.475 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -59.23 -44.37 92.31 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.459 1.103 . . . . 0.0 111.028 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -62.86 -53.07 59.85 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 123.784 0.834 . . . . 0.0 110.867 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.1 mt -58.7 -42.81 89.5 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.877 0.871 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -61.16 -46.3 91.1 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.288 0.635 . . . . 0.0 111.072 175.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -61.13 -51.55 68.61 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.809 0.844 . . . . 0.0 111.11 -174.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 pp -69.07 -32.18 71.45 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -179.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -67.75 -52.48 36.94 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 123.13 0.572 . . . . 0.0 110.207 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.5 m -60.14 -47.49 85.71 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.693 1.197 . . . . 0.0 110.387 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.6 t80 55.12 67.92 2.86 Favored Pre-proline 0 CA--C 1.535 0.384 0 C-N-CA 125.585 1.554 . . . . 0.0 110.814 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.89 111.03 2.94 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 123.077 2.518 . . . . 0.0 108.918 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 -71.74 109.35 5.57 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.978 0.511 . . . . 0.0 110.534 -173.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.5 p -76.1 -59.8 2.6 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.945 0.898 . . . . 0.0 109.838 178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.7 170.5 8.52 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.559 1.144 . . . . 0.0 110.988 -175.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 76.1 t -80.92 -49.47 18.2 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 124.746 1.219 . . . . 0.0 109.248 177.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.4 84.75 0.95 Allowed Glycine 0 C--N 1.341 0.833 0 N-CA-C 109.277 -1.529 . . . . 0.0 109.277 175.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 68.08 161.16 0.18 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.06 1.744 . . . . 0.0 110.992 -170.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -84.0 50.14 4.35 Favored Glycine 0 CA--C 1.529 0.915 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.2 t -171.68 141.89 1.3 Allowed Pre-proline 0 CA--C 1.535 0.382 0 C-N-CA 125.676 1.591 . . . . 0.0 108.034 -173.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -74.48 159.95 42.34 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 123.013 2.475 . . . . 0.0 110.781 177.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.042 0 CA-C-N 116.597 -0.274 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 119.062 -0.494 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 m 53.08 41.39 32.16 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.666 1.586 . . . . 0.0 113.754 169.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -151.27 -50.95 0.12 Allowed 'General case' 0 C--N 1.34 0.159 0 C-N-CA 123.934 0.893 . . . . 0.0 110.202 178.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.8 mt 59.61 42.17 17.68 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.192 1.397 . . . . 0.0 110.516 -168.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.3 t -164.2 -70.4 0.04 OUTLIER 'General case' 0 C--N 1.342 0.247 0 C-N-CA 124.724 1.209 . . . . 0.0 108.477 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.7 m -60.9 -40.91 94.86 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.124 0.97 . . . . 0.0 109.418 168.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.6 t -56.99 -49.01 77.05 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.448 1.499 . . . . 0.0 111.165 173.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.7 t -63.27 -49.74 81.79 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.958 0.903 . . . . 0.0 110.551 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.1 mt -58.76 -45.06 90.62 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.111 0.965 . . . . 0.0 111.028 178.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.89 -45.19 97.03 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 123.856 0.741 . . . . 0.0 111.754 177.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -61.06 -55.61 30.68 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.766 1.226 . . . . 0.0 111.023 -178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.06 -35.36 79.67 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 119.278 -0.391 . . . . 0.0 111.781 -177.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.9 t -62.58 -48.71 78.24 Favored 'General case' 0 C--N 1.342 0.246 0 CA-C-N 118.267 0.485 . . . . 0.0 110.32 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -57.57 -48.72 78.59 Favored 'General case' 0 C--N 1.34 0.178 0 C-N-CA 124.322 1.049 . . . . 0.0 110.662 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -61.04 -51.87 67.36 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.843 0.857 . . . . 0.0 111.146 -177.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 71.6 mt -62.14 -41.5 98.33 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.502 0.721 . . . . 0.0 111.077 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 52.3 t60 -68.74 -36.6 78.6 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.211 0.605 . . . . 0.0 111.772 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -63.52 -45.92 88.42 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.741 0.817 . . . . 0.0 110.199 177.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.1 mt -70.07 -84.0 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 174.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 65.12 -77.19 0.04 OUTLIER 'General case' 0 C--N 1.342 0.25 0 C-N-CA 126.938 2.095 . . . . 0.0 112.522 171.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 t -92.74 -44.07 8.72 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.323 1.449 . . . . 0.0 110.28 175.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.9 p90 39.04 67.68 2.26 Favored Pre-proline 0 CA--C 1.54 0.558 0 C-N-CA 126.721 2.008 . . . . 0.0 113.376 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -73.59 155.6 49.82 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.181 2.587 . . . . 0.0 110.834 -178.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -64.87 -61.67 2.03 Favored 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.595 0.758 . . . . 0.0 109.503 178.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.8 t -73.5 146.41 44.9 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.361 0.664 . . . . 0.0 109.72 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -158.9 -56.99 0.07 Allowed 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.67 0.788 . . . . 0.0 109.649 -178.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.65 145.88 15.22 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 124.477 1.111 . . . . 0.0 109.193 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 175.11 -68.43 0.1 OUTLIER Glycine 0 C--N 1.338 0.658 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 68.64 -74.82 0.07 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 126.639 1.975 . . . . 0.0 111.81 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -81.72 70.07 3.18 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.19 -1.164 . . . . 0.0 110.19 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.8 t -158.27 140.28 10.12 Favored Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 124.667 1.187 . . . . 0.0 108.651 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -70.4 -42.5 2.69 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.912 2.408 . . . . 0.0 111.187 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.017 0 O-C-N 122.181 -0.325 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 38.0 t . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 120.584 0.23 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.8 m -134.57 57.62 1.8 Allowed 'General case' 0 C--N 1.341 0.202 0 C-N-CA 124.328 1.051 . . . . 0.0 109.872 -174.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -177.33 -34.2 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 125.629 1.572 . . . . 0.0 110.682 178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.5 mt 66.37 66.58 0.46 Allowed 'General case' 0 C--N 1.341 0.233 0 C-N-CA 125.28 1.432 . . . . 0.0 110.166 179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.8 t -150.01 -65.54 0.21 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.439 1.096 . . . . 0.0 108.633 179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 66.3 p -67.12 -38.95 86.49 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.558 0.743 . . . . 0.0 109.764 171.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.18 -44.22 89.13 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.885 1.274 . . . . 0.0 110.845 177.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.96 -50.38 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 124.113 0.965 . . . . 0.0 110.227 177.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tt -56.19 -48.33 76.57 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.445 1.098 . . . . 0.0 110.542 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.75 -46.65 93.13 Favored Glycine 0 CA--C 1.527 0.837 0 C-N-CA 124.108 0.861 . . . . 0.0 111.793 178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -61.97 -56.01 23.55 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.81 0.844 . . . . 0.0 111.104 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -64.74 -36.21 83.57 Favored 'General case' 0 C--N 1.341 0.222 0 CA-C-N 118.11 0.414 . . . . 0.0 111.744 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.9 t -61.8 -52.5 63.95 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 122.93 0.492 . . . . 0.0 110.352 176.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -56.69 -48.73 77.01 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 124.658 1.183 . . . . 0.0 111.036 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -61.62 -57.71 10.95 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.512 1.125 . . . . 0.0 110.857 -175.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.8 mt -59.33 -41.68 89.72 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.078 0.951 . . . . 0.0 111.245 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -60.71 -51.04 71.04 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 122.771 0.429 . . . . 0.0 110.806 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -59.12 -55.96 28.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.023 0.929 . . . . 0.0 111.138 -173.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -61.97 -32.3 72.73 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -66.71 -50.67 62.06 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 123.189 0.596 . . . . 0.0 109.688 174.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 71.2 p -83.86 43.88 0.95 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.28 1.032 . . . . 0.0 111.091 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -156.5 82.97 3.33 Favored Pre-proline 0 CA--C 1.533 0.293 0 N-CA-C 108.126 -1.065 . . . . 0.0 108.126 177.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -53.0 119.58 6.32 Favored 'Trans proline' 0 N--CA 1.457 -0.67 0 C-N-CA 124.241 3.294 . . . . 0.0 110.867 174.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.41 87.22 0.09 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.903 1.281 . . . . 0.0 109.068 -169.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.8 m -76.92 129.49 36.24 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.7 0.8 . . . . 0.0 109.156 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -157.6 179.51 9.16 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.276 1.03 . . . . 0.0 109.966 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -153.9 145.75 14.23 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 C-N-CA 124.203 1.001 . . . . 0.0 109.232 177.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.01 73.53 2.62 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.024 -1.23 . . . . 0.0 110.024 177.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 58.61 76.63 0.34 Allowed 'General case' 0 C--N 1.341 0.212 0 C-N-CA 125.413 1.485 . . . . 0.0 110.944 -178.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.0 72.74 2.42 Favored Glycine 0 C--N 1.34 0.799 0 N-CA-C 110.163 -1.175 . . . . 0.0 110.163 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.5 p -131.78 73.58 78.63 Favored Pre-proline 0 CA--C 1.535 0.402 0 C-N-CA 125.157 1.383 . . . . 0.0 109.283 -175.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.11 83.05 2.21 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 123.688 2.925 . . . . 0.0 110.312 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.003 0 O-C-N 122.088 -0.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 121.197 0.522 . . . . 0.0 110.738 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.5 t -83.97 -45.63 12.94 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.585 1.154 . . . . 0.0 110.13 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -60.91 -33.69 73.52 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.251 1.02 . . . . 0.0 112.496 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.8 mt 58.07 61.66 2.28 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.742 1.217 . . . . 0.0 110.37 178.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 t -150.87 -71.44 0.17 Allowed 'General case' 0 C--N 1.339 0.152 0 C-N-CA 123.25 0.62 . . . . 0.0 110.142 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 81.2 p -63.91 -50.06 70.21 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.045 0.538 . . . . 0.0 109.723 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 p -60.15 -39.04 84.96 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.31 1.444 . . . . 0.0 112.212 176.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.1 t -65.79 -53.53 37.42 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 C-N-CA 123.348 0.659 . . . . 0.0 110.189 179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.4 mt -57.97 -41.29 82.62 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.607 0.763 . . . . 0.0 110.992 177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.72 -47.15 92.63 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 124.194 0.902 . . . . 0.0 111.787 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -61.28 -49.95 74.97 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.974 0.91 . . . . 0.0 110.782 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.9 mt -60.97 -46.06 92.25 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.871 0.868 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.0 t -58.7 -46.71 86.69 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.925 0.89 . . . . 0.0 111.107 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.68 -36.42 80.64 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.078 0.551 . . . . 0.0 111.261 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.55 -57.88 8.76 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.059 0.944 . . . . 0.0 110.681 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.42 -31.48 72.18 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 122.491 0.316 . . . . 0.0 111.769 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.01 -58.19 6.74 Favored 'General case' 0 C--N 1.341 0.223 0 C-N-CA 123.735 0.814 . . . . 0.0 110.418 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -63.04 -44.42 95.92 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-O 118.782 -0.628 . . . . 0.0 112.281 -171.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.78 -32.28 73.47 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.667 0.667 . . . . 0.0 111.839 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -70.57 -60.89 2.0 Allowed 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.368 0.667 . . . . 0.0 110.168 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 64.9 p -70.29 -26.73 63.94 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.746 0.818 . . . . 0.0 112.376 -174.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -129.92 99.96 19.63 Favored Pre-proline 0 CA--C 1.532 0.26 0 C-N-CA 124.795 1.238 . . . . 0.0 108.162 175.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -74.57 77.54 2.94 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.417 2.745 . . . . 0.0 109.244 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.8 ttp-105 -168.28 126.95 1.17 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.539 1.536 . . . . 0.0 107.677 -169.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.8 m -65.35 -50.69 64.65 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.808 0.843 . . . . 0.0 110.227 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -71.4 96.71 1.51 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.5 1.12 . . . . 0.0 110.216 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.1 m 58.63 173.17 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 C-N-CA 127.543 2.337 . . . . 0.0 114.193 176.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 172.02 -117.19 0.66 Allowed Glycine 0 C--N 1.338 0.672 0 N-CA-C 108.817 -1.713 . . . . 0.0 108.817 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.17 -37.14 75.11 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.318 0.647 . . . . 0.0 110.252 172.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -80.72 70.56 3.01 Favored Glycine 0 C--N 1.342 0.866 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 174.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.7 m -77.98 124.83 86.07 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 124.531 1.132 . . . . 0.0 108.907 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -52.57 143.56 45.35 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 123.879 3.053 . . . . 0.0 113.086 176.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.001 0 O-C-N 122.414 -0.179 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 69.7 m . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 120.638 0.256 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -69.58 -52.51 25.45 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 167.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -80.72 178.2 8.52 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.014 1.326 . . . . 0.0 110.927 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.19 54.86 1.55 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.792 1.237 . . . . 0.0 109.387 177.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 p -150.8 -65.72 0.19 Allowed 'General case' 0 C--N 1.34 0.164 0 C-N-CA 123.91 0.884 . . . . 0.0 109.745 -178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.6 m -68.04 -35.91 79.04 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.83 0.852 . . . . 0.0 109.359 171.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.7 t -50.97 -56.5 12.15 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 125.0 1.32 . . . . 0.0 110.387 166.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.0 t -60.77 -51.21 75.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 C-N-CA 124.041 0.937 . . . . 0.0 110.483 -174.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 74.2 mt -56.63 -40.53 75.54 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.787 0.835 . . . . 0.0 111.158 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.6 -46.78 93.76 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 124.268 0.937 . . . . 0.0 111.936 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.48 -41.22 89.27 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.117 0.967 . . . . 0.0 111.318 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.7 mt -64.6 -44.58 90.15 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.465 0.706 . . . . 0.0 110.734 177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.2 t -62.39 -44.86 95.44 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.795 0.838 . . . . 0.0 110.961 177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -59.48 -49.23 78.57 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.45 1.1 . . . . 0.0 110.463 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.87 -46.47 89.21 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.377 1.071 . . . . 0.0 111.131 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.58 -47.27 86.92 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.91 0.884 . . . . 0.0 110.607 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -64.6 -45.6 86.23 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.754 0.821 . . . . 0.0 111.536 178.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -61.95 -56.47 18.79 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.626 1.17 . . . . 0.0 110.987 -176.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.7 mt -72.75 -67.4 0.56 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.358 0.663 . . . . 0.0 109.591 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.7 tm0? 71.87 -65.22 0.36 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 126.546 1.938 . . . . 0.0 112.055 176.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.9 t -65.63 -42.4 91.54 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.693 0.797 . . . . 0.0 111.696 -177.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -66.41 -58.93 9.22 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-O 118.034 -0.984 . . . . 0.0 112.095 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -69.67 161.1 47.21 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.461 2.107 . . . . 0.0 111.034 177.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.9 mtp-105 -80.31 87.71 5.57 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.527 0.731 . . . . 0.0 109.074 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 37.8 m -79.2 80.42 5.56 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -79.28 132.89 36.61 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.873 0.869 . . . . 0.0 110.342 -173.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.7 t -63.84 -55.35 22.87 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 123.839 0.856 . . . . 0.0 108.8 174.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.59 -177.12 51.6 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 172.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -79.71 98.83 7.14 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.744 0.817 . . . . 0.0 109.754 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.21 -54.46 4.88 Favored Glycine 0 C--N 1.341 0.827 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 88.9 m -79.24 130.53 68.79 Favored Pre-proline 0 CA--C 1.534 0.353 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 174.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -79.36 71.52 6.99 Favored 'Trans proline' 0 N--CA 1.455 -0.761 0 C-N-CA 123.49 2.793 . . . . 0.0 110.359 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.009 0 O-C-N 121.942 -0.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.6 t . . . . . 0 N--CA 1.474 0.775 0 CA-C-O 121.098 0.475 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.0 m -82.91 -44.03 15.85 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 124.643 1.177 . . . . 0.0 111.017 -176.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.8 m-20 -63.26 -43.33 98.27 Favored 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.377 1.071 . . . . 0.0 111.982 -173.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.4 mt 59.67 49.11 8.61 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.644 1.178 . . . . 0.0 109.663 -169.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.6 t -157.13 -64.73 0.1 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.613 1.165 . . . . 0.0 108.451 -177.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 64.5 p -62.62 -41.77 99.19 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.225 0.61 . . . . 0.0 109.476 170.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.71 -46.48 90.26 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.774 1.23 . . . . 0.0 111.043 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.2 t -63.06 -51.68 68.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 124.051 0.94 . . . . 0.0 110.466 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.7 mt -58.59 -45.73 88.45 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.081 0.952 . . . . 0.0 110.976 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.27 -44.42 97.5 Favored Glycine 0 CA--C 1.529 0.936 0 C-N-CA 123.815 0.721 . . . . 0.0 111.844 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -62.74 -55.52 25.95 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.56 1.144 . . . . 0.0 111.078 -177.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.6 -34.75 78.58 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 119.398 -0.334 . . . . 0.0 111.802 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 t -62.24 -51.83 66.17 Favored 'General case' 0 C--N 1.341 0.205 0 C-N-CA 123.02 0.528 . . . . 0.0 110.172 176.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -57.41 -44.0 84.24 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 123.997 0.919 . . . . 0.0 111.124 177.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -60.11 -49.39 77.85 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 123.313 0.645 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.9 mt -58.74 -41.25 86.02 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.554 0.741 . . . . 0.0 111.163 179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -65.27 -43.14 92.18 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.11 0.564 . . . . 0.0 110.958 176.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -61.1 -54.09 48.97 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 125.012 1.325 . . . . 0.0 110.9 -175.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 pp -66.58 -17.49 64.85 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -87.63 -17.98 30.67 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.438 1.095 . . . . 0.0 111.913 176.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 49.0 m -60.98 -53.45 57.05 Favored 'General case' 0 C--N 1.343 0.304 0 C-N-CA 123.74 0.816 . . . . 0.0 111.234 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -70.05 -47.57 21.74 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-O 118.352 -0.832 . . . . 0.0 111.918 -170.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -57.82 -34.7 98.62 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.215 2.61 . . . . 0.0 112.322 168.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 76.55 -74.13 0.08 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 127.078 2.151 . . . . 0.0 111.095 177.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.8 m -86.13 65.55 9.14 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.26 1.024 . . . . 0.0 109.302 -172.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.1 t0 52.67 -95.65 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 126.715 2.006 . . . . 0.0 111.477 -176.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.502 HG13 ' H ' ' A' ' 28' ' ' GLY 0.32 12.2 p 40.9 -76.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 129.603 3.161 . . . . 0.0 114.969 179.244 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.502 ' H ' HG13 ' A' ' 27' ' ' VAL . . . -82.04 54.98 4.9 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.368 -1.093 . . . . 0.0 110.368 172.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -163.67 -159.98 0.55 Allowed 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.495 1.518 . . . . 0.0 108.533 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -76.09 75.37 1.54 Allowed Glycine 0 CA--C 1.528 0.896 0 C-N-CA 124.097 0.856 . . . . 0.0 111.513 -177.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.0 m -65.48 -42.87 60.27 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 124.519 1.127 . . . . 0.0 112.275 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -58.25 149.97 69.48 Favored 'Trans proline' 0 C--N 1.35 0.625 0 C-N-CA 122.867 2.378 . . . . 0.0 112.577 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.034 0 CA-C-N 116.78 -0.191 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_