data_2keh_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 2keh _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.865 0.364 . . . . 72.54 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.63 -51.45 27.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 70.01 111.103 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.38 -50.83 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 75.2 111.119 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.46 -32.11 83.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.733 . . . . 72.44 112.482 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -56.62 -52.15 65.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.879 0.371 . . . . 75.35 110.912 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.14 -32.01 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.3 111.091 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -43.23 99.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 73.11 110.903 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.65 -31.76 76.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 62.44 112.519 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.88 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 74.04 111.157 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.0 t -53.57 -28.23 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.111 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.7 -45.47 36.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 71.12 110.869 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -28.87 66.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 75.44 110.875 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.53 -49.31 77.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 75.14 111.116 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.36 -27.15 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 73.31 111.115 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.956 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.901 0.381 . . . . 74.12 110.916 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.58 -50.65 42.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 74.02 111.122 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.14 -51.43 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.04 111.114 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.75 -29.97 76.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 65.15 112.516 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -57.26 -52.12 66.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 75.34 110.895 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.11 -41.28 82.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 73.1 111.104 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.05 -50.72 63.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 70.35 110.902 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.09 -34.24 58.22 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.781 -0.723 . . . . 71.23 112.44 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.16 -42.98 54.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 74.31 111.097 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.6 t -53.52 -29.91 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 75.55 111.136 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.69 -45.61 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.902 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -58.99 -33.9 71.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.871 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.65 -48.19 80.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 71.15 111.087 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.26 -27.64 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 74.11 111.11 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.904 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.926 0.394 . . . . 75.34 110.931 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.81 -50.57 34.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 73.02 111.109 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mt -53.87 -51.6 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.33 111.143 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.79 -29.5 74.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 72.15 112.524 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -56.57 -52.09 66.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 75.02 110.913 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.31 -37.29 80.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 73.43 111.109 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -49.75 75.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 73.22 110.877 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.08 -30.63 64.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 73.54 112.505 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -42.99 54.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 64.21 111.12 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.6 t -53.58 -32.13 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 74.21 111.096 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.63 -48.89 20.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 74.53 110.899 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -58.53 -31.16 67.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.887 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -50.34 71.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 64.12 111.069 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.32 -27.72 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 65.51 111.126 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 75.1 110.888 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.927 0.394 . . . . 73.24 110.924 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.34 -47.06 87.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 73.21 111.092 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.08 -48.8 87.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.24 111.153 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.4 -29.12 74.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 53.24 112.529 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -55.41 -52.1 64.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 75.23 110.961 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.85 -45.91 66.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 75.3 111.079 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -49.12 65.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 75.24 110.829 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.32 -34.53 54.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 60.12 112.532 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.22 -43.07 53.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 72.44 111.096 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.7 t -53.53 -31.82 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 74.1 111.159 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.63 -45.84 35.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 75.53 110.87 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -58.67 -29.58 66.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 75.14 110.867 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.37 -49.94 75.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.42 111.101 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.03 -27.57 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 75.23 111.136 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 64.44 110.928 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.881 0.372 . . . . 75.33 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -47.04 88.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 72.0 111.086 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.01 -48.88 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 74.1 111.087 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.99 -31.81 80.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 61.54 112.521 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -55.23 -52.2 64.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.913 0.387 . . . . 70.32 110.929 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 -45.58 72.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 72.15 111.105 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.48 -44.29 65.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.858 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.82 -33.96 69.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 51.33 112.484 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.93 54.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 73.22 111.122 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.0 t -53.61 -28.17 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 75.24 111.121 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.63 -46.61 30.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.879 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -29.11 67.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 73.32 110.873 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.42 81.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 64.23 111.127 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.75 -28.51 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 72.42 111.143 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.917 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.851 0.358 . . . . 73.42 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.43 -47.84 53.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 71.52 111.08 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.71 -48.75 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 73.45 111.166 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.24 -28.19 72.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 62.24 112.487 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -55.2 -52.16 64.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 73.41 110.936 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.74 -47.12 64.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 55.5 111.096 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -52.3 -55.51 20.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.847 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.39 -32.54 57.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 71.42 112.484 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.27 -42.89 53.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 70.31 111.111 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.3 t -53.56 -31.61 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.32 111.14 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.63 -45.47 37.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 74.1 110.917 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -58.84 -30.8 67.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 75.44 110.878 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.36 76.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.13 111.104 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.06 -32.12 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 72.44 111.106 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.894 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.916 0.389 . . . . 75.51 110.967 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.02 -53.05 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.512 . . . . 74.42 111.06 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.5 -50.52 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 74.32 111.152 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.4 -33.84 87.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 65.13 112.468 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -56.26 -52.12 65.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.919 0.39 . . . . 73.15 110.939 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.44 -36.35 78.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 71.43 111.075 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.44 -53.03 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.855 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.51 -34.86 55.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 61.24 112.523 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.97 54.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 54.33 111.104 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.4 t -53.59 -28.29 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 73.52 111.118 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.66 -43.61 46.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 72.43 110.926 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -57.83 -30.4 65.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.888 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.13 95.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 64.54 111.126 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.4 -33.31 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 74.22 111.099 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.25 110.948 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.835 0.35 . . . . 73.45 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.67 -56.89 5.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 72.43 111.108 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.98 -47.49 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 72.22 111.09 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.08 -30.0 76.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 52.41 112.495 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -55.25 -52.15 64.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 75.24 110.904 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.2 -40.07 82.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 74.35 111.089 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.71 -53.38 58.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 74.53 110.91 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.4 -34.09 54.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 65.21 112.475 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.92 54.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 75.33 111.09 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.8 t -53.58 -29.46 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 72.32 111.149 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.65 -46.89 28.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 63.22 110.894 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -58.72 -34.0 70.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.864 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.87 -48.65 77.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 75.44 111.093 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.63 -29.41 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 75.23 111.125 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.903 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.929 0.395 . . . . 74.15 110.878 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.63 -58.42 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 43.25 111.132 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 mt -53.42 -48.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.1 111.104 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.43 -29.99 75.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 64.3 112.524 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -56.62 -52.19 65.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.852 0.358 . . . . 72.01 110.912 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.14 85.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.42 111.094 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -56.25 24.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 65.41 110.881 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.19 -30.28 47.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 75.31 112.52 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.5 55.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 62.42 111.11 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.6 t -53.49 -29.2 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.3 111.101 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.62 -49.69 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 72.05 110.922 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.51 -31.69 70.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.87 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.09 86.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 64.02 111.109 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.39 -29.72 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 75.21 111.155 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.948 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.859 0.362 . . . . 74.5 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.36 -51.1 32.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 75.31 111.079 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.9 mp -53.98 -51.31 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 70.31 111.164 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.11 -32.08 82.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 73.34 112.459 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -55.58 -52.13 64.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.931 0.396 . . . . 74.03 110.891 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.93 -38.29 82.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 71.2 111.099 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -61.09 -46.88 88.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.22 110.887 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.05 -32.14 66.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 45.33 112.432 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.98 54.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 75.44 111.043 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.7 t -53.56 -31.81 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 72.23 111.141 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.61 -44.68 41.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.878 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -58.05 -29.35 65.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 72.01 110.881 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.24 78.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 75.22 111.14 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.3 -26.14 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.51 111.124 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 74.45 110.922 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.907 0.384 . . . . 74.31 110.946 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.01 88.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 72.22 111.054 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.11 -48.77 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 64.02 111.144 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.3 -30.33 76.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 71.35 112.468 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -55.38 -52.1 64.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.876 0.369 . . . . 74.14 110.897 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.71 -44.45 70.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 72.1 111.101 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -54.76 26.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 75.31 110.856 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.6 -32.36 53.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 63.14 112.482 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -43.04 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 71.24 111.092 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.1 t -53.51 -31.41 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.32 111.151 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.61 -52.93 9.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 65.55 110.917 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -29.24 64.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.885 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.2 -50.22 74.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.45 111.102 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.33 -27.45 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.24 111.116 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 70.24 110.964 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.885 0.374 . . . . 73.44 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.38 -46.04 88.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 75.44 111.129 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.79 -48.28 89.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 63.31 111.13 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.46 -29.15 73.82 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.741 . . . . 64.44 112.501 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -68.82 -52.16 32.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.926 0.393 . . . . 75.02 110.92 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.38 -47.53 85.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 73.25 111.121 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -52.96 -51.27 62.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.873 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.0 -34.13 57.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 65.21 112.48 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.91 54.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 72.43 111.129 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.8 t -53.52 -31.79 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.33 111.075 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.66 -45.86 34.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.53 110.868 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -58.0 -31.43 66.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 73.01 110.907 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -45.64 92.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 64.22 111.107 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.36 -26.32 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 75.55 111.16 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 71.25 110.87 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.896 0.379 . . . . 73.32 110.931 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.94 -45.29 67.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 72.23 111.119 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.25 -47.91 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 75.3 111.172 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.48 -28.88 73.64 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.737 -0.745 . . . . 53.41 112.489 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -55.27 -52.09 64.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.855 0.36 . . . . 73.03 110.926 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.08 -42.07 69.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 61.11 111.077 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.72 -49.55 67.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 72.33 110.836 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.41 -32.74 68.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 64.33 112.498 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -42.85 55.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 73.41 111.107 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.7 t -53.47 -30.08 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 75.15 111.131 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -75.64 -44.94 40.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 74.42 110.883 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -32.37 69.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 75.21 110.811 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.44 75.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 73.1 111.113 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.42 -27.62 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 72.11 111.142 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 73.3 110.938 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.897 0.38 . . . . 75.23 110.959 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.26 87.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 74.24 111.111 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.96 -48.81 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.35 111.129 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.17 -30.21 76.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.788 -0.72 . . . . 34.11 112.49 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -55.33 -52.15 64.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 75.2 110.887 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.57 -40.67 73.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 63.01 111.107 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.78 -48.43 75.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 61.23 110.873 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.64 -33.22 59.15 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.738 -0.744 . . . . 63.31 112.462 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.2 -42.92 54.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 72.14 111.119 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.8 t -53.53 -29.28 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 65.14 111.108 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.7 -46.37 31.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 74.44 110.854 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -28.54 64.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.891 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.17 -48.47 81.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 73.44 111.083 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.75 -34.74 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 74.34 111.168 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 70.23 110.931 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.876 0.37 . . . . 74.44 110.928 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.48 -45.49 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.45 111.09 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.44 -48.12 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 75.54 111.141 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.18 -28.4 73.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 35.42 112.489 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -55.16 -52.07 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 73.1 110.942 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.12 -43.9 66.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 74.55 111.114 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.17 -45.27 65.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.878 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.94 -30.76 76.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 73.21 112.488 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.19 -42.73 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 74.44 111.119 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.4 t -53.56 -27.93 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 73.52 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.7 -47.05 27.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 75.13 110.885 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -59.9 -30.25 68.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.883 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -50.17 72.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 74.31 111.119 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.8 -30.61 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 65.22 111.124 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.916 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.873 0.368 . . . . 75.51 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.4 -47.86 53.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 74.42 111.144 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.76 -48.71 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 74.03 111.136 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.19 -28.16 72.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 61.4 112.515 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -55.15 -52.18 64.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 74.32 110.924 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.94 -43.67 67.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 70.43 111.119 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.07 -50.88 60.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.919 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.09 -33.32 64.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 74.34 112.515 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.24 -42.99 54.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 73.22 111.124 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.2 t -53.57 -28.27 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.3 111.116 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -75.68 -46.14 32.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.87 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -58.37 -30.04 66.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 74.2 110.854 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -48.33 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 72.54 111.095 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.43 -25.4 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 63.23 111.177 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.11 110.926 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.903 0.383 . . . . 73.04 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.89 -57.88 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 74.21 111.095 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 mt -52.17 -48.8 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 63.14 111.145 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.26 -31.55 79.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 74.22 112.524 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -57.8 -52.05 67.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 75.11 110.939 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.84 -41.39 83.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 54.54 111.136 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -54.12 -47.61 71.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.847 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.46 -32.71 73.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 65.33 112.488 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.16 -42.94 54.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.347 . . . . 74.33 111.087 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.8 t -53.52 -29.11 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 73.15 111.096 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.63 -43.67 46.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.25 110.9 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -57.68 -27.62 63.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.55 110.896 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 -50.19 71.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 64.52 111.08 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.37 -25.37 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.114 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.922 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.882 0.372 . . . . 61.13 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.44 -58.12 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 64.31 111.074 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 mt -51.86 -48.99 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.41 111.105 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.34 -28.38 70.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 65.3 112.52 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -61.78 -52.15 65.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.924 0.393 . . . . 71.52 110.942 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.03 82.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 73.22 111.069 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.38 -45.53 65.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 74.1 110.889 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.56 -32.37 81.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 72.44 112.494 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.2 -43.06 54.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 44.34 111.051 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.5 t -53.48 -28.12 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 65.33 111.181 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.63 -44.45 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 74.31 110.866 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.16 -29.51 65.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.88 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.36 81.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.45 111.091 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.83 -35.32 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 72.53 111.118 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.939 0.399 . . . . 73.12 110.927 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -51.36 37.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 72.22 111.101 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mt -53.67 -50.99 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 73.52 111.12 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.91 -30.94 79.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 61.4 112.496 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -56.28 -52.14 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 75.14 110.96 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.6 82.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 71.33 111.11 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.75 -55.55 25.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.902 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.73 -33.69 55.7 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 64.01 112.464 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -43.15 53.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 72.02 111.09 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.9 t -53.51 -30.32 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 52.31 111.171 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.66 -44.87 40.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 64.43 110.9 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -33.29 69.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.915 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.91 -46.33 82.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 71.44 111.066 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.27 -36.87 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.424 . . . . 71.12 111.118 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 74.52 110.928 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.855 0.36 . . . . 74.34 110.863 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.9 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 73.14 111.106 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.76 -48.55 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 75.2 111.092 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.66 -29.37 74.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.685 -0.769 . . . . 73.42 112.513 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -56.96 -52.11 66.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.921 0.391 . . . . 74.11 110.925 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.21 -41.22 77.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 73.52 111.129 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -50.06 74.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.53 110.888 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.76 -34.4 56.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 62.21 112.502 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.25 -43.06 53.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 70.13 111.115 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.3 t -53.55 -29.33 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 74.32 111.089 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.68 -44.45 42.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 73.04 110.881 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -58.11 -32.21 67.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.14 110.858 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.92 95.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 63.42 111.129 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.11 -29.89 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.42 111.092 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.896 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.842 0.353 . . . . 72.35 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.5 mtm-85 -81.26 90.04 6.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 75.22 110.858 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.06 -39.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 71.1 110.851 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -85.71 53.3 2.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 75.33 110.858 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -176.07 -42.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 75.53 110.933 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.54 -31.97 68.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.839 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.32 100.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 62.3 112.472 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.2 mp -63.09 -38.86 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.84 0.353 . . . . 75.42 111.13 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.23 20.35 1.08 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 55.2 112.493 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -75.77 -59.28 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 72.54 110.9 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.63 -51.45 27.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 70.01 111.103 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.38 -50.83 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 75.2 111.119 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.46 -32.11 83.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.733 . . . . 72.44 112.482 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -56.62 -52.15 65.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.879 0.371 . . . . 75.35 110.912 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.14 -32.01 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.3 111.091 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -43.23 99.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 73.11 110.903 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.65 -31.76 76.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 62.44 112.519 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.88 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 74.04 111.157 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.0 t -53.57 -28.23 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.111 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.7 -45.47 36.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 71.12 110.869 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -28.87 66.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 75.44 110.875 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.53 -49.31 77.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 75.14 111.116 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.36 -27.15 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 73.31 111.115 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.85 -48.52 72.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.956 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.88 -64.32 2.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.747 . . . . 72.51 112.498 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.7 107.57 2.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.69 -0.766 . . . . 72.41 112.456 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.2 123.49 10.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 74.5 110.83 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -79.21 82.83 5.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 75.45 110.88 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 179.95 146.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.878 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -177.57 114.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 71.33 110.973 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -179.68 116.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 75.54 110.86 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mttt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 75.52 110.886 179.872 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.813 0.339 . . . . 72.01 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.96 110.42 3.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.14 110.85 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -173.34 -74.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.15 110.839 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -84.84 54.86 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 75.32 110.883 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -165.17 33.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 75.43 110.881 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -179.27 -34.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.857 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.6 59.08 0.43 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.754 -0.736 . . . . 71.43 112.46 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.3 mp -55.51 -45.0 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 62.51 111.155 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.43 20.68 2.77 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 74.43 112.496 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -74.64 -60.83 2.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.381 . . . . 74.12 110.916 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.58 -50.65 42.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 74.02 111.122 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.14 -51.43 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.04 111.114 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.75 -29.97 76.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 65.15 112.516 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -57.26 -52.12 66.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 75.34 110.895 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.11 -41.28 82.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 73.1 111.104 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.05 -50.72 63.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 70.35 110.902 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.09 -34.24 58.22 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.781 -0.723 . . . . 71.23 112.44 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.16 -42.98 54.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 74.31 111.097 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.6 t -53.52 -29.91 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 75.55 111.136 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.69 -45.61 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.902 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -58.99 -33.9 71.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 74.41 110.871 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.65 -48.19 80.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 71.15 111.087 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.26 -27.64 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 74.11 111.11 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 tp -52.12 -38.47 57.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.904 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.92 19.66 4.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 72.23 112.487 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -107.53 -28.02 5.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.723 . . . . 33.25 112.488 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.55 169.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 53.42 110.829 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 60.29 94.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 73.3 110.864 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t70 179.94 149.14 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 62.14 110.823 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -76.39 70.07 2.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 75.25 110.916 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -179.63 118.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 73.44 110.867 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.879 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.791 0.329 . . . . 74.11 110.871 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -149.2 124.04 9.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.822 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.4 -35.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.874 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.01 34.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 72.11 110.875 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.72 -43.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 74.41 110.875 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.31 -30.23 37.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 70.4 110.934 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.71 93.95 0.89 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.701 -0.761 . . . . 74.41 112.478 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mp -54.82 -27.0 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 65.2 111.118 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.99 20.66 0.5 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 74.3 112.546 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -72.79 -61.1 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.394 . . . . 75.34 110.931 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.81 -50.57 34.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 73.02 111.109 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mt -53.87 -51.6 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.33 111.143 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.79 -29.5 74.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 72.15 112.524 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -56.57 -52.09 66.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 75.02 110.913 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.31 -37.29 80.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 73.43 111.109 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -49.75 75.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 73.22 110.877 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.08 -30.63 64.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 73.54 112.505 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -42.99 54.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 64.21 111.12 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.6 t -53.58 -32.13 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 74.21 111.096 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.63 -48.89 20.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 74.53 110.899 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -58.53 -31.16 67.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.887 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -50.34 71.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 64.12 111.069 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.32 -27.72 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 65.51 111.126 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -34.41 63.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 75.1 110.888 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.62 -52.83 7.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 74.35 112.486 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.02 -126.26 5.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 74.55 112.528 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -171.01 104.13 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 72.32 110.873 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.23 42.89 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 73.44 110.899 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.93 126.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 62.45 110.869 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -161.47 25.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.879 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -179.62 101.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 72.51 110.908 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 pttt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.896 179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.794 0.33 . . . . 74.12 110.855 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -70.33 90.09 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 75.01 110.82 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -167.64 -74.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 72.42 110.915 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -85.04 54.43 3.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.875 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.89 -41.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.899 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -57.57 -28.07 63.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 64.21 110.867 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.74 74.27 2.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 73.4 112.546 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.0 mm -53.47 -45.54 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 74.03 111.125 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -137.92 22.32 3.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 73.11 112.437 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -76.47 -61.24 2.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.927 0.394 . . . . 73.24 110.924 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.34 -47.06 87.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 73.21 111.092 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.08 -48.8 87.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.24 111.153 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.4 -29.12 74.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 53.24 112.529 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -55.41 -52.1 64.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 75.23 110.961 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.85 -45.91 66.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 75.3 111.079 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -49.12 65.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 75.24 110.829 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.32 -34.53 54.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 60.12 112.532 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.22 -43.07 53.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 72.44 111.096 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.7 t -53.53 -31.82 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 74.1 111.159 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.63 -45.84 35.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 75.53 110.87 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -58.67 -29.58 66.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 75.14 110.867 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.37 -49.94 75.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 74.42 111.101 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.03 -27.57 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 75.23 111.136 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.21 -42.73 73.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 64.44 110.928 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.68 47.81 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 74.33 112.444 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -110.95 -90.48 2.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 73.24 112.473 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -67.08 -22.7 65.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 75.31 110.874 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 58.73 91.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 74.23 110.865 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.96 141.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 73.52 110.852 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -166.18 30.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 72.31 110.925 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -53.62 -49.97 66.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 74.21 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 74.54 110.886 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.795 0.331 . . . . 74.11 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.2 176.93 10.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.836 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.63 26.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 74.31 110.889 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.01 30.94 10.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.863 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.29 -42.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 72.43 110.943 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -62.36 -29.19 70.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 71.34 110.88 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.92 77.09 0.3 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 74.4 112.464 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mt -60.49 -34.37 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 74.34 111.12 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.24 20.9 3.15 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 64.51 112.55 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -76.82 -61.19 2.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.881 0.372 . . . . 75.33 110.944 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -47.04 88.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 72.0 111.086 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.01 -48.88 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 74.1 111.087 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.99 -31.81 80.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 61.54 112.521 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -55.23 -52.2 64.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.913 0.387 . . . . 70.32 110.929 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 -45.58 72.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 72.15 111.105 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.48 -44.29 65.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.858 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.82 -33.96 69.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 51.33 112.484 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.93 54.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 73.22 111.122 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.0 t -53.61 -28.17 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 75.24 111.121 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.63 -46.61 30.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.879 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -29.11 67.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 73.32 110.873 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.42 81.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 64.23 111.127 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.75 -28.51 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 72.42 111.143 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -29.55 67.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.917 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.49 -61.05 7.91 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.727 -0.749 . . . . 74.11 112.482 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.95 43.61 2.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 55.11 112.473 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.42 86.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 75.14 110.88 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -87.0 6.27 33.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 74.42 110.877 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.95 -53.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 75.32 110.852 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -169.79 38.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 74.11 110.917 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -179.66 -67.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 73.54 110.916 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 74.55 110.942 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.828 0.347 . . . . 75.31 110.867 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -69.49 138.9 53.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 74.24 110.889 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.59 26.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 75.1 110.86 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.74 36.0 13.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 62.32 110.854 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -147.88 -42.6 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 70.32 110.893 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.72 -27.85 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 75.15 110.887 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.41 115.8 1.3 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 62.34 112.469 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.3 mm -70.83 -34.38 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 74.24 111.134 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.77 19.95 2.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 72.4 112.477 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -70.9 -60.06 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 73.42 110.874 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.43 -47.84 53.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 71.52 111.08 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.71 -48.75 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 73.45 111.166 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.24 -28.19 72.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 62.24 112.487 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -55.2 -52.16 64.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 73.41 110.936 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.74 -47.12 64.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 55.5 111.096 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -52.3 -55.51 20.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.847 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.39 -32.54 57.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 71.42 112.484 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.27 -42.89 53.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 70.31 111.111 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.3 t -53.56 -31.61 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.32 111.14 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.63 -45.47 37.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 74.1 110.917 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -58.84 -30.8 67.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 75.44 110.878 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.36 76.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.13 111.104 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.06 -32.12 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 72.44 111.106 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.6 -40.04 62.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.32 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.94 69.36 0.31 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 64.41 112.481 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.83 -117.03 0.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 65.03 112.465 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.82 137.6 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 73.54 110.851 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -156.02 55.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 74.55 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -57.08 102.24 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 54.23 110.872 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -168.73 121.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 74.54 110.881 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -54.63 -70.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 72.44 110.883 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 70.25 110.884 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.3 mmt-85 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.785 0.326 . . . . 73.55 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -64.18 111.06 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 75.42 110.822 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.39 -35.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 74.51 110.889 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -85.62 4.26 37.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 74.43 110.893 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.88 -42.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.879 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -68.28 -26.19 65.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 74.02 110.902 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.52 82.73 0.68 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 73.11 112.483 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mp -63.51 -30.29 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 74.41 111.112 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.93 19.73 1.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 70.23 112.485 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -75.14 -58.6 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 75.51 110.967 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.02 -53.05 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.512 . . . . 74.42 111.06 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.5 -50.52 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 74.32 111.152 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.4 -33.84 87.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 65.13 112.468 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -56.26 -52.12 65.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.919 0.39 . . . . 73.15 110.939 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.44 -36.35 78.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 71.43 111.075 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.44 -53.03 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.855 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.51 -34.86 55.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 61.24 112.523 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.97 54.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 54.33 111.104 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.4 t -53.59 -28.29 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 73.52 111.118 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.66 -43.61 46.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 72.43 110.926 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -57.83 -30.4 65.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.888 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.13 95.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 64.54 111.126 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.4 -33.31 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 74.22 111.099 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -30.29 67.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.25 110.948 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.7 -56.61 0.53 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.737 . . . . 75.53 112.5 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 147.8 146.0 4.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 54.04 112.504 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.32 173.05 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 61.44 110.892 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -153.7 50.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.859 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.95 153.73 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 75.11 110.863 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -162.35 120.75 2.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.907 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -179.68 120.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 50.22 110.858 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.2 mttm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.04 110.882 179.903 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.806 0.336 . . . . 74.2 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 -82.46 142.72 31.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 73.22 110.842 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.7 t -167.54 -74.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 75.15 110.863 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.23 54.22 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 74.45 110.865 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -169.45 -38.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.927 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -54.18 -31.9 54.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 74.13 110.898 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.12 102.79 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.794 -0.717 . . . . 74.03 112.447 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.9 mm -61.89 -70.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.911 0.386 . . . . 71.21 111.136 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.89 -20.49 62.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 74.01 112.5 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -62.67 -51.73 66.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 73.45 110.883 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.67 -56.89 5.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 72.43 111.108 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.98 -47.49 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 72.22 111.09 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.08 -30.0 76.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 52.41 112.495 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -55.25 -52.15 64.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 75.24 110.904 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.2 -40.07 82.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 74.35 111.089 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.71 -53.38 58.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 74.53 110.91 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.4 -34.09 54.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 65.21 112.475 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.92 54.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 75.33 111.09 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.8 t -53.58 -29.46 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 72.32 111.149 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.65 -46.89 28.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 63.22 110.894 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -58.72 -34.0 70.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 74.21 110.864 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.87 -48.65 77.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 75.44 111.093 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.63 -29.41 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 75.23 111.125 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.88 -34.71 55.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.903 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.93 -48.41 7.77 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 51.33 112.527 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.46 132.74 2.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 72.31 112.48 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -173.73 150.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 61.43 110.867 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -81.23 62.83 5.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.872 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.97 161.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 72.01 110.868 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 49.46 63.84 1.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 63.1 110.893 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -53.33 -29.74 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 61.32 110.911 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 63.23 110.922 179.925 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.806 0.336 . . . . 72.53 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.67 90.05 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 75.33 110.837 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.13 -39.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 64.21 110.832 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.1 tpt85 -85.71 53.39 2.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 73.22 110.912 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -174.0 -40.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 75.02 110.881 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.4 -29.11 70.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.875 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.13 89.58 1.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 61.12 112.499 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.1 mp -71.56 -71.85 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 64.24 111.105 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.71 -19.87 67.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 63.5 112.527 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -64.22 -54.19 37.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.929 0.395 . . . . 74.15 110.878 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.63 -58.42 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 43.25 111.132 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 mt -53.42 -48.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.1 111.104 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.43 -29.99 75.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 64.3 112.524 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -56.62 -52.19 65.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.852 0.358 . . . . 72.01 110.912 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.53 -39.14 85.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.42 111.094 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -56.25 24.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 65.41 110.881 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.19 -30.28 47.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 75.31 112.52 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.5 55.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 62.42 111.11 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.6 t -53.49 -29.2 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.3 111.101 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.62 -49.69 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 72.05 110.922 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.51 -31.69 70.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 74.31 110.87 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.09 86.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 64.02 111.109 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.39 -29.72 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 75.21 111.155 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -33.28 55.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.948 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.95 30.86 3.29 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.758 . . . . 73.12 112.49 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.81 148.33 0.9 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 71.04 112.503 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.15 -22.74 66.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 72.31 110.844 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -172.73 120.76 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.54 110.893 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -56.79 -58.96 5.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.909 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -162.82 -48.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.946 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -179.85 47.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 75.45 110.933 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 72.33 110.896 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.815 0.341 . . . . 73.41 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 122.73 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 74.21 110.829 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.59 26.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.858 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -155.84 26.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 74.51 110.858 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.31 -45.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 74.1 110.867 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -59.8 -26.55 65.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.906 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.47 76.39 0.31 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.758 -0.734 . . . . 74.13 112.51 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 mt -53.16 -43.21 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 74.54 111.124 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.02 21.39 3.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 71.23 112.499 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -74.95 -59.52 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.362 . . . . 74.5 110.914 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.36 -51.1 32.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 75.31 111.079 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.9 mp -53.98 -51.31 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 70.31 111.164 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.11 -32.08 82.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 73.34 112.459 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -55.58 -52.13 64.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.931 0.396 . . . . 74.03 110.891 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.93 -38.29 82.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 71.2 111.099 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -61.09 -46.88 88.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.22 110.887 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.05 -32.14 66.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 45.33 112.432 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.98 54.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 75.44 111.043 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.7 t -53.56 -31.81 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 72.23 111.141 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.61 -44.68 41.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.878 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -58.05 -29.35 65.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 72.01 110.881 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.24 78.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 75.22 111.14 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.3 -26.14 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.51 111.124 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.19 -35.77 72.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 74.45 110.922 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.3 -19.81 72.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 72.14 112.496 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.23 46.2 1.07 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 70.35 112.454 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 t -170.59 151.7 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.91 0.386 . . . . 74.24 110.836 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -153.49 24.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 64.11 110.862 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -55.57 -37.17 67.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.86 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 49.46 70.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.93 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -53.37 -60.83 2.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 54.22 110.941 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 pttm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 70.11 110.856 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.812 0.339 . . . . 63.22 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -149.22 127.53 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 73.23 110.873 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.59 26.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 71.03 110.897 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.56 41.32 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 74.41 110.833 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.69 -41.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 74.3 110.913 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -58.49 -31.31 67.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.41 110.857 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.15 92.39 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 60.22 112.465 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.0 mp -62.04 -53.88 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.906 0.384 . . . . 73.52 111.15 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.33 20.58 3.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.777 -0.725 . . . . 75.14 112.525 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -76.27 -61.13 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 74.31 110.946 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.01 88.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 72.22 111.054 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.11 -48.77 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 64.02 111.144 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.3 -30.33 76.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 71.35 112.468 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -55.38 -52.1 64.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.876 0.369 . . . . 74.14 110.897 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.71 -44.45 70.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 72.1 111.101 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -54.76 26.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 75.31 110.856 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.6 -32.36 53.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 63.14 112.482 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -43.04 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 71.24 111.092 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.1 t -53.51 -31.41 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.32 111.151 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.61 -52.93 9.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 65.55 110.917 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -29.24 64.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.885 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.2 -50.22 74.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 75.45 111.102 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.33 -27.45 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.24 111.116 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.52 -30.41 63.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 70.24 110.964 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -131.48 66.63 0.57 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.753 -0.737 . . . . 42.5 112.502 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.4 -101.51 2.75 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.731 -0.747 . . . . 64.45 112.469 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.66 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 74.31 110.855 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.3 mtm-85 59.07 89.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.1 110.83 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.94 132.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 73.5 110.859 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -163.54 63.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.906 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -179.66 73.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 75.13 110.895 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.8 mttm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 71.11 110.894 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.7 ptt-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.824 0.345 . . . . 74.23 110.889 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 mtm-85 -77.16 92.8 3.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 73.12 110.889 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.57 26.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 73.13 110.849 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -173.68 33.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 75.5 110.875 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -154.59 -42.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 73.32 110.868 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -60.21 -26.58 66.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 72.34 110.888 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.18 91.23 2.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 52.52 112.497 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 mp -52.43 -45.85 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 71.13 111.112 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.74 25.69 1.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 71.31 112.455 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -76.98 -61.18 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 73.44 110.916 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.38 -46.04 88.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 75.44 111.129 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.79 -48.28 89.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 63.31 111.13 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.46 -29.15 73.82 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.741 . . . . 64.44 112.501 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -68.82 -52.16 32.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.926 0.393 . . . . 75.02 110.92 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.38 -47.53 85.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 73.25 111.121 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -52.96 -51.27 62.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.873 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.0 -34.13 57.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 65.21 112.48 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.91 54.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 72.43 111.129 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.8 t -53.52 -31.79 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.33 111.075 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.66 -45.86 34.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.53 110.868 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -58.0 -31.43 66.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 73.01 110.907 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -45.64 92.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 64.22 111.107 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.36 -26.32 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 75.55 111.16 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -26.32 66.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 71.25 110.87 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.8 -51.6 9.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 71.35 112.486 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.88 43.64 1.63 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 53.31 112.456 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.71 134.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 74.1 110.841 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -151.93 27.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 71.21 110.866 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -54.12 103.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 75.02 110.881 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -58.4 -54.36 47.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 75.35 110.878 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -61.53 90.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 74.1 110.882 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.869 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.774 0.321 . . . . 74.02 110.85 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -149.16 129.22 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.888 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 p -165.05 105.8 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.51 110.863 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.88 53.92 11.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 64.55 110.848 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.5 35.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 71.52 110.909 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.25 -34.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 73.34 110.879 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.1 48.26 0.89 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 54.14 112.466 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.3 mp -52.19 -36.75 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 72.23 111.171 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.22 21.77 1.74 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 55.31 112.476 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -74.07 -60.1 2.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.896 0.379 . . . . 73.32 110.931 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.94 -45.29 67.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 72.23 111.119 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.25 -47.91 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 75.3 111.172 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.48 -28.88 73.64 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.737 -0.745 . . . . 53.41 112.489 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -55.27 -52.09 64.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.855 0.36 . . . . 73.03 110.926 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.08 -42.07 69.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 61.11 111.077 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.72 -49.55 67.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 72.33 110.836 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.41 -32.74 68.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 64.33 112.498 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -42.85 55.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 73.41 111.107 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.7 t -53.47 -30.08 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 75.15 111.131 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -75.64 -44.94 40.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 74.42 110.883 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -32.37 69.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 75.21 110.811 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.44 75.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 73.1 111.113 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.42 -27.62 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 72.11 111.142 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -29.11 65.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 73.3 110.938 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.67 30.75 3.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 72.41 112.494 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.86 -65.25 0.82 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 70.43 112.468 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.9 t -173.18 156.97 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.351 . . . . 74.11 110.836 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.82 104.38 2.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 75.25 110.862 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 179.93 36.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 74.53 110.887 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -162.65 27.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.903 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -179.66 126.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.915 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 73.31 110.929 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.786 0.327 . . . . 74.25 110.868 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.67 173.99 8.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.904 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.95 23.99 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 65.34 110.888 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.27 33.88 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 75.15 110.851 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -165.13 34.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 74.12 110.91 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.3 -34.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 63.13 110.893 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.96 78.81 0.24 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.695 -0.764 . . . . 75.14 112.478 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mp -55.84 -45.08 79.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 74.2 111.13 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.15 23.91 3.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 73.2 112.476 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -76.41 -61.04 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.38 . . . . 75.23 110.959 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.26 87.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 74.24 111.111 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.96 -48.81 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 73.35 111.129 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.17 -30.21 76.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.788 -0.72 . . . . 34.11 112.49 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -55.33 -52.15 64.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 75.2 110.887 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.57 -40.67 73.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 63.01 111.107 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.78 -48.43 75.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 61.23 110.873 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.64 -33.22 59.15 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.738 -0.744 . . . . 63.31 112.462 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.2 -42.92 54.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 72.14 111.119 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.8 t -53.53 -29.28 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 65.14 111.108 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.7 -46.37 31.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 74.44 110.854 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -28.54 64.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.891 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.17 -48.47 81.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 73.44 111.083 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.75 -34.74 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 74.34 111.168 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.76 -37.44 68.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 70.23 110.931 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.47 -47.71 1.27 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 74.15 112.452 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.78 78.44 1.04 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 62.31 112.465 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.0 171.39 5.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 73.34 110.842 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -155.33 96.04 1.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 74.41 110.831 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 179.93 35.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 63.22 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -64.52 -61.67 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 72.14 110.933 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -179.69 -50.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 64.34 110.921 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.9 mttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.921 179.88 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.846 0.355 . . . . 75.34 110.86 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.53 164.78 4.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 75.12 110.886 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.95 23.99 12.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.873 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -168.38 36.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 73.13 110.886 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -168.85 34.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 75.5 110.895 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.27 -34.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 70.12 110.866 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.26 78.62 1.42 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 72.03 112.476 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mp -58.69 -43.81 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.367 . . . . 75.52 111.146 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.64 23.58 1.99 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 73.54 112.478 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -76.65 -59.91 2.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 74.44 110.928 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.48 -45.49 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.45 111.09 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.44 -48.12 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 75.54 111.141 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.18 -28.4 73.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 35.42 112.489 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -55.16 -52.07 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 73.1 110.942 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.12 -43.9 66.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 74.55 111.114 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.17 -45.27 65.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 75.3 110.878 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.94 -30.76 76.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 73.21 112.488 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.19 -42.73 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 74.44 111.119 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.4 t -53.56 -27.93 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 73.52 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.7 -47.05 27.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 75.13 110.885 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -59.9 -30.25 68.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.883 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -50.17 72.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 74.31 111.119 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.8 -30.61 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 65.22 111.124 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -40.83 66.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 74.32 110.916 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.91 19.78 51.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 73.44 112.486 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.24 -122.54 2.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 74.21 112.499 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.73 152.26 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 73.53 110.886 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -166.96 115.88 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 71.44 110.853 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.96 148.14 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.853 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -74.47 -64.28 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 74.25 110.915 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -179.63 -53.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 64.14 110.89 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 70.51 110.864 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.818 0.342 . . . . 75.22 110.841 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.0 ttm-85 -149.2 102.74 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.863 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.93 -38.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 74.51 110.883 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.78 52.17 2.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 73.25 110.869 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.79 -38.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 73.42 110.888 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.69 -30.91 67.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 75.43 110.855 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.19 83.99 1.59 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 75.35 112.494 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mt -55.2 -47.44 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 74.32 111.114 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.61 20.63 2.2 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 64.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -75.09 -56.67 4.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 75.51 110.906 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.4 -47.86 53.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 74.42 111.144 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.76 -48.71 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 74.03 111.136 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.19 -28.16 72.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 61.4 112.515 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -55.15 -52.18 64.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 74.32 110.924 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.94 -43.67 67.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 70.43 111.119 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.07 -50.88 60.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.919 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.09 -33.32 64.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 74.34 112.515 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.24 -42.99 54.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 73.22 111.124 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.2 t -53.57 -28.27 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.3 111.116 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -75.68 -46.14 32.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.87 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -58.37 -30.04 66.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 74.2 110.854 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -48.33 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 72.54 111.095 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.43 -25.4 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 63.23 111.177 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -34.57 74.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.11 110.926 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.29 -25.51 75.34 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.765 -0.731 . . . . 60.13 112.465 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.16 -136.91 0.4 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 64.31 112.478 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 p -175.46 96.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 74.2 110.84 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.0 mtm-85 60.01 53.64 4.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 74.42 110.843 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.43 -66.89 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.901 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 49.42 71.26 0.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.943 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -179.64 -61.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 73.53 110.912 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.7 mttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 73.54 110.89 179.864 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.794 0.33 . . . . 74.41 110.826 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.52 129.19 40.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 75.32 110.837 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 p -165.08 105.83 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 75.54 110.89 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.51 32.65 21.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 75.11 110.882 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.36 33.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.89 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -179.28 -34.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 71.13 110.867 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.09 32.33 6.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 74.1 112.537 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 54.7 mt -58.65 -72.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.367 . . . . 74.04 111.114 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.3 -20.4 71.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.699 -0.763 . . . . 74.34 112.462 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -63.03 -52.73 61.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.383 . . . . 73.04 110.923 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.89 -57.88 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 74.21 111.095 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 mt -52.17 -48.8 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 63.14 111.145 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.26 -31.55 79.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 74.22 112.524 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -57.8 -52.05 67.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 75.11 110.939 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.84 -41.39 83.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 54.54 111.136 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -54.12 -47.61 71.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 73.25 110.847 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.46 -32.71 73.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 65.33 112.488 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.16 -42.94 54.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.347 . . . . 74.33 111.087 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.8 t -53.52 -29.11 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 73.15 111.096 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.63 -43.67 46.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.25 110.9 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -57.68 -27.62 63.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.55 110.896 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 -50.19 71.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 64.52 111.08 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.37 -25.37 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.114 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -46.09 65.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.922 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.05 63.33 0.36 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.78 -0.724 . . . . 73.32 112.549 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.4 -127.46 2.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.796 -0.716 . . . . 72.32 112.514 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 p -172.63 154.78 3.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 71.33 110.845 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 62.57 87.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 74.52 110.854 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.09 -168.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 74.55 110.887 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -178.61 115.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 62.21 110.929 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -54.95 -52.65 62.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 71.13 110.924 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 tptt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.32 110.856 179.887 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.852 0.358 . . . . 75.21 110.856 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -149.23 89.92 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 73.14 110.844 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 p -165.23 -39.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.892 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -85.69 53.24 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 74.23 110.895 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.22 38.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 74.15 110.918 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.24 -34.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 74.3 110.899 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.03 108.07 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 72.43 112.482 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.5 mp -62.67 -72.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.903 0.382 . . . . 70.15 111.177 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.82 -20.49 62.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 54.22 112.492 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -63.87 -53.32 52.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 61.13 110.902 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.44 -58.12 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 64.31 111.074 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 mt -51.86 -48.99 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.41 111.105 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.34 -28.38 70.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 65.3 112.52 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -61.78 -52.15 65.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.924 0.393 . . . . 71.52 110.942 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.03 82.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 73.22 111.069 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.38 -45.53 65.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 74.1 110.889 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.56 -32.37 81.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 72.44 112.494 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.2 -43.06 54.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 44.34 111.051 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.5 t -53.48 -28.12 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 65.33 111.181 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.63 -44.45 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 74.31 110.866 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.16 -29.51 65.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 74.43 110.88 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.36 81.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.45 111.091 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.83 -35.32 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 72.53 111.118 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.3 -46.65 76.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.883 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.5 58.93 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.783 -0.722 . . . . 63.42 112.538 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.3 -83.96 0.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 73.34 112.512 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -62.2 130.92 47.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 75.55 110.886 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.55 61.32 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 73.33 110.859 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.67 161.05 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 64.54 110.861 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 64.09 79.31 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 75.42 110.932 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -179.61 -40.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 73.45 110.915 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 75.13 110.85 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.788 0.328 . . . . 74.4 110.859 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -84.9 90.06 7.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.837 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t -165.06 -39.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.04 110.83 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.7 mmt-85 -85.69 53.39 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 73.15 110.847 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.3 37.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 73.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -179.31 -34.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.891 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.42 64.08 4.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 73.02 112.48 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.37 -50.52 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.374 . . . . 64.23 111.114 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.77 21.23 4.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 71.14 112.492 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -74.62 -60.88 2.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.939 0.399 . . . . 73.12 110.927 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -51.36 37.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 72.22 111.101 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mt -53.67 -50.99 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 73.52 111.12 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.91 -30.94 79.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 61.4 112.496 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -56.28 -52.14 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 75.14 110.96 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.15 -40.6 82.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 71.33 111.11 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.75 -55.55 25.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.902 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.73 -33.69 55.7 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 64.01 112.464 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -43.15 53.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 72.02 111.09 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.9 t -53.51 -30.32 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 52.31 111.171 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.66 -44.87 40.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 64.43 110.9 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -33.29 69.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.915 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.91 -46.33 82.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 71.44 111.066 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.27 -36.87 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.424 . . . . 71.12 111.118 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.59 -33.36 45.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 74.52 110.928 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.31 -34.61 3.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 65.22 112.506 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.9 -22.82 30.87 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 75.3 112.502 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.56 164.08 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 75.13 110.892 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.78 89.3 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 73.25 110.84 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -76.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.853 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 174.65 -45.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 74.14 110.934 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -177.09 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 63.35 110.931 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 mttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 63.35 110.885 179.915 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.799 0.333 . . . . 75.25 110.807 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.68 134.43 35.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.13 110.905 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.79 -74.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 74.24 110.885 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -85.05 54.85 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 74.43 110.849 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.51 -42.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 74.4 110.854 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.89 -28.15 65.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.44 110.915 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.09 63.31 0.81 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 64.23 112.489 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.7 mm -61.48 -50.68 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 75.33 111.105 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.19 26.4 2.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 72.42 112.497 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -74.24 -61.19 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 74.34 110.863 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.9 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 73.14 111.106 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.76 -48.55 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 75.2 111.092 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.66 -29.37 74.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.685 -0.769 . . . . 73.42 112.513 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -56.96 -52.11 66.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.921 0.391 . . . . 74.11 110.925 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.21 -41.22 77.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 73.52 111.129 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -50.06 74.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 74.53 110.888 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.76 -34.4 56.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 62.21 112.502 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.25 -43.06 53.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 70.13 111.115 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.3 t -53.55 -29.33 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 74.32 111.089 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.68 -44.45 42.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 73.04 110.881 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -58.11 -32.21 67.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.14 110.858 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.92 95.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 63.42 111.129 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.11 -29.89 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 74.42 111.092 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.84 -30.61 65.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.896 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -147.75 72.87 0.3 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.729 . . . . 72.12 112.503 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.25 -42.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 45.42 112.522 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -22.64 67.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 63.03 110.884 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -157.66 110.94 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 75.25 110.888 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.93 163.23 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.86 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.63 -166.32 1.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 74.35 110.938 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -53.71 -52.91 58.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 74.13 110.9 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 73.5 110.943 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.865 0.364 . . . . 72.54 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.63 -51.45 27.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 70.01 111.103 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.38 -50.83 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 74.52 111.119 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.46 -32.11 83.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.733 . . . . 51.03 112.482 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -56.62 -52.15 65.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.879 0.371 . . . . 73.33 110.912 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.14 -32.01 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.3 111.091 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -43.23 99.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 64.33 110.903 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.65 -31.76 76.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 62.44 112.519 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.88 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 52.14 111.157 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 15' ' ' ALA . 82.0 t -53.57 -28.23 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.111 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.7 -45.47 36.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 71.12 110.869 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -28.87 66.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 74.13 110.875 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.53 -49.31 77.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 64.41 111.116 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.36 -27.15 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 31.11 111.115 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.956 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.901 0.381 . . . . 74.05 110.916 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.58 -50.65 42.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 74.02 111.122 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.14 -51.43 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.04 111.114 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.75 -29.97 76.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 61.41 112.516 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -57.26 -52.12 66.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 70.54 110.895 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.11 -41.28 82.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 65.32 111.104 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.05 -50.72 63.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 62.4 110.902 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.09 -34.24 58.22 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.781 -0.723 . . . . 71.23 112.44 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.16 -42.98 54.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 74.31 111.097 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.6 t -53.52 -29.91 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 74.44 111.136 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.69 -45.61 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.902 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -58.99 -33.9 71.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 62.23 110.871 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.65 -48.19 80.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 71.15 111.087 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.26 -27.64 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 74.11 111.11 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 73.15 110.904 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.926 0.394 . . . . 75.34 110.931 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.81 -50.57 34.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 73.02 111.109 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mt -53.87 -51.6 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.41 111.143 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.79 -29.5 74.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 72.15 112.524 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -56.57 -52.09 66.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 62.42 110.913 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.31 -37.29 80.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 73.43 111.109 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -49.75 75.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 73.22 110.877 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.08 -30.63 64.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 72.15 112.505 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -42.99 54.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 64.21 111.12 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.6 t -53.58 -32.13 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 72.42 111.096 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.63 -48.89 20.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 74.53 110.899 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -58.53 -31.16 67.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 65.34 110.887 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -50.34 71.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 62.34 111.069 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.32 -27.72 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 65.51 111.126 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.888 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.927 0.394 . . . . 73.24 110.924 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.34 -47.06 87.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 73.21 111.092 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.08 -48.8 87.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.24 111.153 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.4 -29.12 74.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 53.24 112.529 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -55.41 -52.1 64.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 75.23 110.961 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.85 -45.91 66.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 72.34 111.079 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -49.12 65.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 62.33 110.829 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.32 -34.53 54.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 34.44 112.532 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.22 -43.07 53.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 64.2 111.096 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.7 t -53.53 -31.82 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 73.43 111.159 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.63 -45.84 35.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 75.53 110.87 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -58.67 -29.58 66.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 63.32 110.867 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.37 -49.94 75.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 72.21 111.101 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.03 -27.57 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 72.54 111.136 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 63.32 110.928 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.881 0.372 . . . . 71.42 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -47.04 88.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 70.23 111.086 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.01 -48.88 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 64.43 111.087 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.99 -31.81 80.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 41.42 112.521 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -55.23 -52.2 64.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.913 0.387 . . . . 70.32 110.929 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 -45.58 72.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 72.15 111.105 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.48 -44.29 65.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.858 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.82 -33.96 69.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 51.33 112.484 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.93 54.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 43.51 111.122 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.0 t -53.61 -28.17 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 75.13 111.121 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.63 -46.61 30.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.879 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -29.11 67.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 73.32 110.873 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.42 81.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 64.23 111.127 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.75 -28.51 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 72.42 111.143 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.917 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.851 0.358 . . . . 41.12 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.43 -47.84 53.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 53.33 111.08 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.71 -48.75 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 73.45 111.166 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.24 -28.19 72.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 62.24 112.487 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -55.2 -52.16 64.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 73.41 110.936 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -69.74 -47.12 64.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 51.33 111.096 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -52.3 -55.51 20.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.847 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.39 -32.54 57.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 71.42 112.484 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.27 -42.89 53.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 70.31 111.111 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.3 t -53.56 -31.61 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.32 111.14 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.63 -45.47 37.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 74.1 110.917 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -58.84 -30.8 67.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 71.3 110.878 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.36 76.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.13 111.104 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.06 -32.12 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 72.44 111.106 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 62.43 110.894 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.916 0.389 . . . . 63.44 110.967 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.02 -53.05 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.512 . . . . 44.25 111.06 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.5 -50.52 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 73.41 111.152 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.4 -33.84 87.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 23.01 112.468 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -56.26 -52.12 65.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.919 0.39 . . . . 73.15 110.939 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.603 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.44 -36.35 78.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 71.43 111.075 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.44 -53.03 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.855 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.51 -34.86 55.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 61.24 112.523 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.97 54.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 25.25 111.104 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.4 t -53.59 -28.29 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 70.05 111.118 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.66 -43.61 46.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 45.33 110.926 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -57.83 -30.4 65.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.888 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.13 95.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 64.54 111.126 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.4 -33.31 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 61.35 111.099 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 51.51 110.948 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.835 0.35 . . . . 73.45 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.67 -56.89 5.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 72.43 111.108 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.98 -47.49 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 63.12 111.09 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.08 -30.0 76.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 52.41 112.495 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -55.25 -52.15 64.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 73.21 110.904 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.634 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.2 -40.07 82.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 74.35 111.089 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.71 -53.38 58.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 74.53 110.91 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.4 -34.09 54.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 54.21 112.475 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.92 54.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 75.33 111.09 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.8 t -53.58 -29.46 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 54.32 111.149 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.65 -46.89 28.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 63.22 110.894 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -58.72 -34.0 70.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.864 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.87 -48.65 77.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 75.44 111.093 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.63 -29.41 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 75.23 111.125 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.903 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.929 0.395 . . . . 65.34 110.878 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.63 -58.42 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 43.25 111.132 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 mt -53.42 -48.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.1 111.104 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.43 -29.99 75.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 52.52 112.524 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -56.62 -52.19 65.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.852 0.358 . . . . 62.24 110.912 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -67.53 -39.14 85.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.05 111.094 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -56.25 24.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 65.14 110.881 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.19 -30.28 47.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 75.31 112.52 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.5 55.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 41.52 111.11 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.6 t -53.49 -29.2 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.3 111.101 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.62 -49.69 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 55.45 110.922 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.51 -31.69 70.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 71.24 110.87 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.09 86.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 64.02 111.109 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.39 -29.72 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 63.24 111.155 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.948 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.859 0.362 . . . . 63.01 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.36 -51.1 32.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 53.3 111.079 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.9 mp -53.98 -51.31 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 70.31 111.164 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.11 -32.08 82.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 73.34 112.459 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -55.58 -52.13 64.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.931 0.396 . . . . 74.03 110.891 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.486 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -67.93 -38.29 82.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 65.3 111.099 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -61.09 -46.88 88.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.1 110.887 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.05 -32.14 66.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 45.33 112.432 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.98 54.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 75.44 111.043 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.7 t -53.56 -31.81 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 72.23 111.141 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.61 -44.68 41.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.878 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -58.05 -29.35 65.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 60.23 110.881 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.24 78.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 71.41 111.14 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.3 -26.14 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.51 111.124 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 54.05 110.922 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.907 0.384 . . . . 74.31 110.946 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.01 88.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 70.42 111.054 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.11 -48.77 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 51.12 111.144 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.3 -30.33 76.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 71.35 112.468 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -55.38 -52.1 64.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.876 0.369 . . . . 73.14 110.897 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -69.71 -44.45 70.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 54.41 111.101 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -54.76 26.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 75.31 110.856 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.6 -32.36 53.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 62.32 112.482 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -43.04 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 71.24 111.092 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 15' ' ' ALA . 82.1 t -53.51 -31.41 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.32 111.151 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.61 -52.93 9.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 65.55 110.917 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -29.24 64.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 60.24 110.885 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.2 -50.22 74.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 54.14 111.102 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.33 -27.45 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.24 111.116 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 70.15 110.964 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.885 0.374 . . . . 73.25 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.38 -46.04 88.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 75.44 111.129 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.79 -48.28 89.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 63.21 111.13 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.46 -29.15 73.82 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.741 . . . . 64.44 112.501 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -68.82 -52.16 32.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.926 0.393 . . . . 72.05 110.92 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -61.38 -47.53 85.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 64.33 111.121 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -52.96 -51.27 62.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 65.12 110.873 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.0 -34.13 57.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 52.3 112.48 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.91 54.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 72.43 111.129 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.8 t -53.52 -31.79 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.33 111.075 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.66 -45.86 34.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.53 110.868 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -58.0 -31.43 66.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 73.01 110.907 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -45.64 92.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 61.45 111.107 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.36 -26.32 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 61.33 111.16 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 61.51 110.87 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.896 0.379 . . . . 73.32 110.931 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.94 -45.29 67.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 53.34 111.119 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.25 -47.91 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 71.54 111.172 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.48 -28.88 73.64 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.737 -0.745 . . . . 53.41 112.489 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -55.27 -52.09 64.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.855 0.36 . . . . 73.03 110.926 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -71.08 -42.07 69.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 50.03 111.077 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.72 -49.55 67.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 62.2 110.836 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.41 -32.74 68.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 40.25 112.498 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -42.85 55.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 70.52 111.107 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.7 t -53.47 -30.08 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 74.54 111.131 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -75.64 -44.94 40.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 74.32 110.883 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -32.37 69.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 75.21 110.811 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.44 75.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 73.1 111.113 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.42 -27.62 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 72.11 111.142 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.938 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.897 0.38 . . . . 74.42 110.959 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.26 87.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 74.24 111.111 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.96 -48.81 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 45.44 111.129 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.17 -30.21 76.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.788 -0.72 . . . . 34.11 112.49 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -55.33 -52.15 64.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 75.2 110.887 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.57 -40.67 73.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 42.43 111.107 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.78 -48.43 75.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 61.21 110.873 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.64 -33.22 59.15 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.738 -0.744 . . . . 63.31 112.462 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.2 -42.92 54.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 15.12 111.119 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.8 t -53.53 -29.28 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 65.14 111.108 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.7 -46.37 31.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 74.44 110.854 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -28.54 64.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 72.23 110.891 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.17 -48.47 81.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 70.32 111.083 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.75 -34.74 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 62.31 111.168 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 65.02 110.931 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.876 0.37 . . . . 71.22 110.928 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.48 -45.49 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 50.1 111.09 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.44 -48.12 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 73.21 111.141 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.18 -28.4 73.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 35.42 112.489 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -55.16 -52.07 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 73.1 110.942 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.12 -43.9 66.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 74.55 111.114 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.17 -45.27 65.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 75.13 110.878 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.94 -30.76 76.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 73.21 112.488 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.19 -42.73 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 74.44 111.119 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.4 t -53.56 -27.93 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 72.42 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.7 -47.05 27.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 75.13 110.885 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -59.9 -30.25 68.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.883 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -50.17 72.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 74.31 111.119 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.8 -30.61 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 54.23 111.124 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 73.34 110.916 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.873 0.368 . . . . 74.4 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.4 -47.86 53.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 72.32 111.144 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.76 -48.71 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 74.03 111.136 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.19 -28.16 72.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 61.4 112.515 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -55.15 -52.18 64.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 74.32 110.924 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -70.94 -43.67 67.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 70.43 111.119 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.07 -50.88 60.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.919 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.09 -33.32 64.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 74.34 112.515 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.24 -42.99 54.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 73.22 111.124 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.2 t -53.57 -28.27 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 63.31 111.116 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -75.68 -46.14 32.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.87 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -58.37 -30.04 66.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 73.52 110.854 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -48.33 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 72.54 111.095 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.43 -25.4 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 54.12 111.177 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 71.32 110.926 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.903 0.383 . . . . 73.04 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.89 -57.88 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 70.35 111.095 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 mt -52.17 -48.8 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 63.14 111.145 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.26 -31.55 79.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 61.43 112.524 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -57.8 -52.05 67.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 75.11 110.939 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -67.84 -41.39 83.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 54.54 111.136 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -54.12 -47.61 71.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 62.43 110.847 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.46 -32.71 73.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 65.33 112.488 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.16 -42.94 54.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.347 . . . . 32.21 111.087 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.8 t -53.52 -29.11 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 73.15 111.096 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.63 -43.67 46.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.25 110.9 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -57.68 -27.62 63.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.896 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 -50.19 71.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 64.52 111.08 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.37 -25.37 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.114 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.922 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.882 0.372 . . . . 61.13 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.44 -58.12 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 64.31 111.074 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 mt -51.86 -48.99 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.02 111.105 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.34 -28.38 70.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 61.24 112.52 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -61.78 -52.15 65.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.924 0.393 . . . . 71.52 110.942 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.03 82.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 73.22 111.069 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.38 -45.53 65.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 50.52 110.889 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.56 -32.37 81.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 72.44 112.494 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.2 -43.06 54.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 43.35 111.051 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.5 t -53.48 -28.12 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 55.14 111.181 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.63 -44.45 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 74.31 110.866 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.16 -29.51 65.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 64.13 110.88 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.36 81.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.45 111.091 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.83 -35.32 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 71.33 111.118 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 42.03 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.939 0.399 . . . . 73.12 110.927 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -51.36 37.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 72.04 111.101 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mt -53.67 -50.99 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 73.32 111.12 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.91 -30.94 79.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 61.4 112.496 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -56.28 -52.14 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 75.14 110.96 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.601 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.15 -40.6 82.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 71.33 111.11 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.75 -55.55 25.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.902 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.73 -33.69 55.7 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 51.32 112.464 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -43.15 53.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 72.02 111.09 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.9 t -53.51 -30.32 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 41.13 111.171 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.66 -44.87 40.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 52.31 110.9 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -33.29 69.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.915 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.91 -46.33 82.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 71.44 111.066 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.27 -36.87 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.424 . . . . 62.44 111.118 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 74.52 110.928 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.855 0.36 . . . . 73.53 110.863 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.9 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 73.14 111.106 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.76 -48.55 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 70.04 111.092 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.66 -29.37 74.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.685 -0.769 . . . . 73.42 112.513 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -56.96 -52.11 66.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.921 0.391 . . . . 73.34 110.925 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -69.21 -41.22 77.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 71.35 111.129 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -50.06 74.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.888 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.76 -34.4 56.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 62.21 112.502 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.25 -43.06 53.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 62.12 111.115 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 15' ' ' ALA . 82.3 t -53.55 -29.33 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 74.32 111.089 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.68 -44.45 42.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 70.41 110.881 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -58.11 -32.21 67.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.14 110.858 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.92 95.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 63.42 111.129 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.11 -29.89 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.02 111.092 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.896 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.842 0.353 . . . . 71.12 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.5 mtm-85 -81.26 90.04 6.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 75.22 110.858 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.06 -39.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 54.54 110.851 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -85.71 53.3 2.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 71.23 110.858 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -176.07 -42.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 75.53 110.933 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.54 -31.97 68.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.839 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.32 100.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 44.13 112.472 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.2 mp -63.09 -38.86 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.84 0.353 . . . . 75.42 111.13 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.23 20.35 1.08 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 43.25 112.493 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -75.77 -59.28 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 72.54 110.9 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.63 -51.45 27.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 70.01 111.103 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.38 -50.83 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 74.52 111.119 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.46 -32.11 83.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.733 . . . . 51.03 112.482 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -56.62 -52.15 65.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.879 0.371 . . . . 73.33 110.912 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.14 -32.01 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.3 111.091 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -43.23 99.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 64.33 110.903 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.65 -31.76 76.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 62.44 112.519 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.88 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 52.14 111.157 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 15' ' ' ALA . 82.0 t -53.57 -28.23 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.111 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.7 -45.47 36.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 71.12 110.869 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -28.87 66.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 74.13 110.875 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.53 -49.31 77.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 64.41 111.116 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.36 -27.15 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 31.11 111.115 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.85 -48.52 72.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.956 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.88 -64.32 2.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.747 . . . . 72.51 112.498 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.7 107.57 2.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.69 -0.766 . . . . 43.51 112.456 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.2 123.49 10.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 74.5 110.83 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -79.21 82.83 5.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 75.45 110.88 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 179.95 146.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.878 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -177.57 114.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 71.33 110.973 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -179.68 116.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 74.12 110.86 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mttt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 75.31 110.886 179.872 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.813 0.339 . . . . 72.01 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.96 110.42 3.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.14 110.85 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -173.34 -74.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.15 110.839 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -84.84 54.86 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 52.45 110.883 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -165.17 33.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 73.34 110.881 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -179.27 -34.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.857 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.6 59.08 0.43 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.754 -0.736 . . . . 64.23 112.46 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.3 mp -55.51 -45.0 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 60.43 111.155 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.43 20.68 2.77 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 74.43 112.496 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -74.64 -60.83 2.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.381 . . . . 74.05 110.916 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.58 -50.65 42.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 74.02 111.122 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.14 -51.43 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.04 111.114 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.75 -29.97 76.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 61.41 112.516 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -57.26 -52.12 66.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 70.54 110.895 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.11 -41.28 82.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 65.32 111.104 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.05 -50.72 63.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 62.4 110.902 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.09 -34.24 58.22 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.781 -0.723 . . . . 71.23 112.44 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.16 -42.98 54.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 74.31 111.097 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.6 t -53.52 -29.91 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 74.44 111.136 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.69 -45.61 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.902 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -58.99 -33.9 71.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 62.23 110.871 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.65 -48.19 80.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 71.15 111.087 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.26 -27.64 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 74.11 111.11 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 tp -52.12 -38.47 57.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 73.15 110.904 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.92 19.66 4.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 72.23 112.487 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -107.53 -28.02 5.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.723 . . . . 33.25 112.488 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.55 169.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 53.42 110.829 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 60.29 94.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 72.21 110.864 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t70 179.94 149.14 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 62.14 110.823 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -76.39 70.07 2.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 73.12 110.916 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -179.63 118.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 73.44 110.867 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.879 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.791 0.329 . . . . 73.51 110.871 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -149.2 124.04 9.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.822 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.4 -35.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 73.13 110.874 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.01 34.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 72.11 110.875 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.72 -43.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 72.33 110.875 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.31 -30.23 37.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 70.4 110.934 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.71 93.95 0.89 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.701 -0.761 . . . . 74.41 112.478 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mp -54.82 -27.0 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 65.2 111.118 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.99 20.66 0.5 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 74.3 112.546 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -72.79 -61.1 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.394 . . . . 75.34 110.931 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.81 -50.57 34.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 73.02 111.109 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mt -53.87 -51.6 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.41 111.143 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.79 -29.5 74.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 72.15 112.524 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -56.57 -52.09 66.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 62.42 110.913 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.31 -37.29 80.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 73.43 111.109 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -49.75 75.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 73.22 110.877 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.08 -30.63 64.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 72.15 112.505 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -42.99 54.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 64.21 111.12 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.6 t -53.58 -32.13 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 72.42 111.096 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.63 -48.89 20.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 74.53 110.899 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -58.53 -31.16 67.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 65.34 110.887 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -50.34 71.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 62.34 111.069 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.32 -27.72 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 65.51 111.126 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -34.41 63.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.888 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.62 -52.83 7.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 74.35 112.486 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.02 -126.26 5.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 74.55 112.528 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -171.01 104.13 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 72.32 110.873 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.23 42.89 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 62.42 110.899 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.93 126.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 62.45 110.869 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -161.47 25.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.879 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -179.62 101.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 72.51 110.908 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 pttt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 70.14 110.896 179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.794 0.33 . . . . 74.12 110.855 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -70.33 90.09 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.82 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -167.64 -74.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 64.51 110.915 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -85.04 54.43 3.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.875 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.89 -41.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 71.31 110.899 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -57.57 -28.07 63.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 64.21 110.867 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.74 74.27 2.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 73.4 112.546 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.0 mm -53.47 -45.54 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 73.15 111.125 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -137.92 22.32 3.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 73.11 112.437 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -76.47 -61.24 2.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.927 0.394 . . . . 73.24 110.924 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.34 -47.06 87.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 73.21 111.092 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.08 -48.8 87.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.24 111.153 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.4 -29.12 74.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 53.24 112.529 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -55.41 -52.1 64.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 75.23 110.961 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.85 -45.91 66.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 72.34 111.079 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -49.12 65.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 62.33 110.829 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.32 -34.53 54.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 34.44 112.532 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.22 -43.07 53.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 64.2 111.096 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.7 t -53.53 -31.82 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 73.43 111.159 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.63 -45.84 35.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 75.53 110.87 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -58.67 -29.58 66.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 63.32 110.867 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.37 -49.94 75.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 72.21 111.101 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.03 -27.57 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 72.54 111.136 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.21 -42.73 73.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 63.32 110.928 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.68 47.81 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 74.33 112.444 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -110.95 -90.48 2.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 65.31 112.473 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -67.08 -22.7 65.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 43.12 110.874 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 58.73 91.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 74.23 110.865 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.96 141.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 64.41 110.852 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -166.18 30.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 72.31 110.925 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -53.62 -49.97 66.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 73.04 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 72.34 110.886 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.795 0.331 . . . . 74.11 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.2 176.93 10.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.836 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.63 26.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 74.31 110.889 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.01 30.94 10.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.863 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.29 -42.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 72.43 110.943 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -62.36 -29.19 70.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 71.34 110.88 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.92 77.09 0.3 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 74.4 112.464 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mt -60.49 -34.37 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 74.34 111.12 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.24 20.9 3.15 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 55.1 112.55 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -76.82 -61.19 2.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.881 0.372 . . . . 71.42 110.944 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -47.04 88.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 70.23 111.086 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.01 -48.88 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 64.43 111.087 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.99 -31.81 80.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 41.42 112.521 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -55.23 -52.2 64.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.913 0.387 . . . . 70.32 110.929 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 -45.58 72.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 72.15 111.105 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.48 -44.29 65.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.858 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.82 -33.96 69.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 51.33 112.484 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.93 54.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 43.51 111.122 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.0 t -53.61 -28.17 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 75.13 111.121 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.63 -46.61 30.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.879 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -29.11 67.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 73.32 110.873 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.42 81.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 64.23 111.127 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.75 -28.51 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 72.42 111.143 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -29.55 67.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.917 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.49 -61.05 7.91 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.727 -0.749 . . . . 74.11 112.482 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.95 43.61 2.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 41.13 112.473 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.42 86.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 75.14 110.88 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -87.0 6.27 33.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 71.21 110.877 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.95 -53.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 75.32 110.852 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -169.79 38.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 74.11 110.917 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -179.66 -67.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 72.3 110.916 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 70.02 110.942 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.828 0.347 . . . . 74.03 110.867 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -69.49 138.9 53.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 72.23 110.889 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.59 26.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 75.1 110.86 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.74 36.0 13.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 62.32 110.854 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -147.88 -42.6 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 70.32 110.893 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.72 -27.85 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 75.15 110.887 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.41 115.8 1.3 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 62.34 112.469 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.3 mm -70.83 -34.38 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 72.42 111.134 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.77 19.95 2.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 72.4 112.477 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -70.9 -60.06 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 41.12 110.874 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.43 -47.84 53.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 53.33 111.08 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.71 -48.75 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 73.45 111.166 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.24 -28.19 72.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 62.24 112.487 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -55.2 -52.16 64.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 73.41 110.936 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -69.74 -47.12 64.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 51.33 111.096 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -52.3 -55.51 20.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.847 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.39 -32.54 57.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 71.42 112.484 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.27 -42.89 53.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 70.31 111.111 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.3 t -53.56 -31.61 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.32 111.14 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.63 -45.47 37.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 74.1 110.917 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -58.84 -30.8 67.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 71.3 110.878 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.36 76.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.13 111.104 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.06 -32.12 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 72.44 111.106 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.6 -40.04 62.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 62.43 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.94 69.36 0.31 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 64.22 112.481 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.83 -117.03 0.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 51.41 112.465 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.82 137.6 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 73.54 110.851 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -156.02 55.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 74.55 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -57.08 102.24 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 53.21 110.872 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -168.73 121.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 73.35 110.881 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -54.63 -70.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 72.43 110.883 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 63.1 110.884 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.3 mmt-85 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.785 0.326 . . . . 73.55 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -64.18 111.06 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 71.31 110.822 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.39 -35.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 72.45 110.889 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -85.62 4.26 37.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 74.02 110.893 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.88 -42.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.879 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -68.28 -26.19 65.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 74.02 110.902 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.52 82.73 0.68 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 73.11 112.483 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mp -63.51 -30.29 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 74.41 111.112 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.93 19.73 1.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 54.3 112.485 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -75.14 -58.6 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 63.44 110.967 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.02 -53.05 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.512 . . . . 44.25 111.06 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.5 -50.52 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 73.41 111.152 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.4 -33.84 87.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 23.01 112.468 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -56.26 -52.12 65.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.919 0.39 . . . . 73.15 110.939 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.603 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.44 -36.35 78.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 71.43 111.075 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.44 -53.03 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.855 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.51 -34.86 55.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 61.24 112.523 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.97 54.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 25.25 111.104 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.4 t -53.59 -28.29 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 70.05 111.118 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.66 -43.61 46.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 45.33 110.926 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -57.83 -30.4 65.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.888 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.13 95.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 64.54 111.126 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.4 -33.31 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 61.35 111.099 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -30.29 67.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 51.51 110.948 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.7 -56.61 0.53 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.737 . . . . 64.41 112.5 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 147.8 146.0 4.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 43.14 112.504 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.32 173.05 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 61.44 110.892 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -153.7 50.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.859 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.95 153.73 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 54.21 110.863 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -162.35 120.75 2.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.907 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -179.68 120.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 41.23 110.858 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.2 mttm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 70.43 110.882 179.903 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.806 0.336 . . . . 74.2 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 -82.46 142.72 31.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 73.22 110.842 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.7 t -167.54 -74.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 75.15 110.863 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.23 54.22 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 64.21 110.865 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -169.45 -38.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.927 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -54.18 -31.9 54.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.898 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.12 102.79 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.794 -0.717 . . . . 64.25 112.447 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.665 ' O ' HD12 ' A' ' 12' ' ' ILE . 46.9 mm -61.89 -70.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.911 0.386 . . . . 63.23 111.136 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.89 -20.49 62.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 74.01 112.5 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -62.67 -51.73 66.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 73.45 110.883 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.67 -56.89 5.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 72.43 111.108 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 8' ' ' ILE . 5.1 mt -52.98 -47.49 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 63.12 111.09 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.08 -30.0 76.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 52.41 112.495 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -55.25 -52.15 64.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 73.21 110.904 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.634 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.2 -40.07 82.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 74.35 111.089 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.71 -53.38 58.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 74.53 110.91 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.4 -34.09 54.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 54.21 112.475 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.92 54.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 75.33 111.09 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.8 t -53.58 -29.46 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 54.32 111.149 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.65 -46.89 28.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 63.22 110.894 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -58.72 -34.0 70.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.864 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.87 -48.65 77.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 75.44 111.093 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.63 -29.41 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 75.23 111.125 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.88 -34.71 55.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.903 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.93 -48.41 7.77 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 51.33 112.527 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.46 132.74 2.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 72.31 112.48 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -173.73 150.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 34.21 110.867 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -81.23 62.83 5.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.872 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.97 161.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 70.4 110.868 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 49.46 63.84 1.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 63.1 110.893 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -53.33 -29.74 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 53.12 110.911 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 63.23 110.922 179.925 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.806 0.336 . . . . 64.21 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.67 90.05 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 75.33 110.837 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.13 -39.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 64.21 110.832 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.1 tpt85 -85.71 53.39 2.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 65.14 110.912 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -174.0 -40.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.881 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.4 -29.11 70.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.875 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.13 89.58 1.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 41.5 112.499 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.698 ' O ' HD12 ' A' ' 12' ' ' ILE . 3.1 mp -71.56 -71.85 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 61.11 111.105 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.71 -19.87 67.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 63.5 112.527 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -64.22 -54.19 37.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.929 0.395 . . . . 65.34 110.878 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.63 -58.42 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 43.25 111.132 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.698 HD12 ' O ' ' A' ' 8' ' ' ILE . 5.5 mt -53.42 -48.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.1 111.104 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.43 -29.99 75.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 52.52 112.524 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -56.62 -52.19 65.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.852 0.358 . . . . 62.24 110.912 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -67.53 -39.14 85.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.05 111.094 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -56.25 24.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 65.14 110.881 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.19 -30.28 47.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 75.31 112.52 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.5 55.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 41.52 111.11 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.6 t -53.49 -29.2 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.3 111.101 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.62 -49.69 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 55.45 110.922 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.51 -31.69 70.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 71.24 110.87 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.09 86.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 64.02 111.109 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.39 -29.72 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 63.24 111.155 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -33.28 55.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.948 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.95 30.86 3.29 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.758 . . . . 73.12 112.49 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.81 148.33 0.9 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 51.21 112.503 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.15 -22.74 66.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 54.4 110.844 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -172.73 120.76 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 72.35 110.893 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -56.79 -58.96 5.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 65.32 110.909 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -162.82 -48.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.946 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -179.85 47.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.933 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 72.33 110.896 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.815 0.341 . . . . 73.41 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 122.73 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 72.11 110.829 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.59 26.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.858 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -155.84 26.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 74.51 110.858 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.31 -45.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 54.42 110.867 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -59.8 -26.55 65.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.906 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.47 76.39 0.31 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.758 -0.734 . . . . 74.13 112.51 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 mt -53.16 -43.21 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 74.12 111.124 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.02 21.39 3.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 71.23 112.499 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -74.95 -59.52 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.362 . . . . 63.01 110.914 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.36 -51.1 32.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 53.3 111.079 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.9 mp -53.98 -51.31 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 70.31 111.164 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.11 -32.08 82.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 73.34 112.459 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -55.58 -52.13 64.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.931 0.396 . . . . 74.03 110.891 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.486 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -67.93 -38.29 82.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 65.3 111.099 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -61.09 -46.88 88.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.1 110.887 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.05 -32.14 66.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 45.33 112.432 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.98 54.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 75.44 111.043 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.7 t -53.56 -31.81 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 72.23 111.141 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.61 -44.68 41.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.878 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -58.05 -29.35 65.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 60.23 110.881 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.24 78.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 71.41 111.14 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.3 -26.14 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.51 111.124 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.19 -35.77 72.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 54.05 110.922 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.3 -19.81 72.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 72.14 112.496 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.23 46.2 1.07 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 44.42 112.454 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 t -170.59 151.7 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.91 0.386 . . . . 74.24 110.836 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -153.49 24.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 61.3 110.862 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -55.57 -37.17 67.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.86 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 49.46 70.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.93 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -53.37 -60.83 2.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 51.55 110.941 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 pttm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 61.34 110.856 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.812 0.339 . . . . 63.22 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -149.22 127.53 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 71.31 110.873 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.59 26.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 63.3 110.897 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.56 41.32 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 74.41 110.833 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.69 -41.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.913 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -58.49 -31.31 67.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.41 110.857 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.15 92.39 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 55.41 112.465 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.0 mp -62.04 -53.88 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.906 0.384 . . . . 73.52 111.15 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.33 20.58 3.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.777 -0.725 . . . . 75.14 112.525 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -76.27 -61.13 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 74.31 110.946 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.01 88.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 70.42 111.054 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.11 -48.77 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 51.12 111.144 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.3 -30.33 76.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 71.35 112.468 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -55.38 -52.1 64.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.876 0.369 . . . . 73.14 110.897 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -69.71 -44.45 70.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 54.41 111.101 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -54.76 26.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 75.31 110.856 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.6 -32.36 53.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 62.32 112.482 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -43.04 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 71.24 111.092 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 15' ' ' ALA . 82.1 t -53.51 -31.41 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.32 111.151 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.61 -52.93 9.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 65.55 110.917 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -29.24 64.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 60.24 110.885 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.2 -50.22 74.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 54.14 111.102 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.33 -27.45 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.24 111.116 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.52 -30.41 63.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 70.15 110.964 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -131.48 66.63 0.57 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.753 -0.737 . . . . 42.5 112.502 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.4 -101.51 2.75 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.731 -0.747 . . . . 64.45 112.469 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.66 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 71.42 110.855 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.3 mtm-85 59.07 89.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.1 110.83 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.94 132.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 61.35 110.859 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -163.54 63.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.906 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -179.66 73.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 75.13 110.895 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.8 mttm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 62.41 110.894 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.7 ptt-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.824 0.345 . . . . 73.05 110.889 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 mtm-85 -77.16 92.8 3.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 55.24 110.889 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.57 26.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.849 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -173.68 33.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 74.54 110.875 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -154.59 -42.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 62.32 110.868 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -60.21 -26.58 66.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 62.33 110.888 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.18 91.23 2.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 43.42 112.497 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 mp -52.43 -45.85 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 71.13 111.112 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.74 25.69 1.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 71.31 112.455 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -76.98 -61.18 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 73.25 110.916 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.38 -46.04 88.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 75.44 111.129 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.79 -48.28 89.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 63.21 111.13 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.46 -29.15 73.82 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.741 . . . . 64.44 112.501 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -68.82 -52.16 32.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.926 0.393 . . . . 72.05 110.92 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -61.38 -47.53 85.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 64.33 111.121 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -52.96 -51.27 62.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 65.12 110.873 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.0 -34.13 57.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 52.3 112.48 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.91 54.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 72.43 111.129 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.8 t -53.52 -31.79 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.33 111.075 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.66 -45.86 34.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.53 110.868 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -58.0 -31.43 66.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 73.01 110.907 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -45.64 92.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 61.45 111.107 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.36 -26.32 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 61.33 111.16 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -26.32 66.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 61.51 110.87 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.8 -51.6 9.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 71.35 112.486 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.88 43.64 1.63 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 53.31 112.456 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.71 134.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 74.1 110.841 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -151.93 27.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 53.35 110.866 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -54.12 103.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 61.32 110.881 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -58.4 -54.36 47.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 75.35 110.878 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -61.53 90.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 74.1 110.882 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.869 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.774 0.321 . . . . 51.4 110.85 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -149.16 129.22 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.888 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 p -165.05 105.8 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.51 110.863 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.88 53.92 11.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 64.34 110.848 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.5 35.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 70.53 110.909 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.25 -34.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 65.15 110.879 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.1 48.26 0.89 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 45.23 112.466 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.3 mp -52.19 -36.75 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 72.23 111.171 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.22 21.77 1.74 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 55.31 112.476 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -74.07 -60.1 2.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.896 0.379 . . . . 73.32 110.931 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.94 -45.29 67.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 53.34 111.119 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.25 -47.91 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 71.54 111.172 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.48 -28.88 73.64 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.737 -0.745 . . . . 53.41 112.489 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -55.27 -52.09 64.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.855 0.36 . . . . 73.03 110.926 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -71.08 -42.07 69.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 50.03 111.077 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.72 -49.55 67.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 62.2 110.836 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.41 -32.74 68.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 40.25 112.498 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -42.85 55.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 70.52 111.107 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.7 t -53.47 -30.08 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 74.54 111.131 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -75.64 -44.94 40.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 74.32 110.883 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -32.37 69.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 75.21 110.811 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.44 75.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 73.1 111.113 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.42 -27.62 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 72.11 111.142 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -29.11 65.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.938 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.67 30.75 3.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 72.41 112.494 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.86 -65.25 0.82 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 70.43 112.468 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.9 t -173.18 156.97 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.351 . . . . 73.3 110.836 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.82 104.38 2.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 75.25 110.862 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 179.93 36.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 74.53 110.887 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -162.65 27.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.903 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -179.66 126.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.915 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.929 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.786 0.327 . . . . 74.25 110.868 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.67 173.99 8.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.904 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.95 23.99 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 51.02 110.888 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.27 33.88 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 72.01 110.851 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -165.13 34.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 62.42 110.91 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.3 -34.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 32.32 110.893 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.96 78.81 0.24 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.695 -0.764 . . . . 73.14 112.478 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mp -55.84 -45.08 79.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 74.2 111.13 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.15 23.91 3.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 71.31 112.476 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -76.41 -61.04 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.38 . . . . 74.42 110.959 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.26 87.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 74.24 111.111 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.96 -48.81 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 45.44 111.129 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.17 -30.21 76.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.788 -0.72 . . . . 34.11 112.49 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -55.33 -52.15 64.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 75.2 110.887 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.57 -40.67 73.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 42.43 111.107 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.78 -48.43 75.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 61.21 110.873 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.64 -33.22 59.15 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.738 -0.744 . . . . 63.31 112.462 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.2 -42.92 54.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 15.12 111.119 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.8 t -53.53 -29.28 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 65.14 111.108 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.7 -46.37 31.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 74.44 110.854 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -28.54 64.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 72.23 110.891 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.17 -48.47 81.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 70.32 111.083 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.75 -34.74 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 62.31 111.168 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.76 -37.44 68.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 65.02 110.931 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.47 -47.71 1.27 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 74.15 112.452 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.78 78.44 1.04 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 62.31 112.465 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.0 171.39 5.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 73.34 110.842 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -155.33 96.04 1.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 73.45 110.831 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 179.93 35.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 53.21 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -64.52 -61.67 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 64.41 110.933 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -179.69 -50.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 64.34 110.921 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.9 mttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.921 179.88 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.846 0.355 . . . . 75.34 110.86 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.53 164.78 4.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 75.12 110.886 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.95 23.99 12.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.873 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -168.38 36.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 71.5 110.886 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -168.85 34.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 75.5 110.895 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.27 -34.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 70.12 110.866 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.26 78.62 1.42 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 72.03 112.476 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mp -58.69 -43.81 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.367 . . . . 73.45 111.146 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.64 23.58 1.99 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 51.31 112.478 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -76.65 -59.91 2.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 71.22 110.928 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.48 -45.49 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 50.1 111.09 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.44 -48.12 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 73.21 111.141 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.18 -28.4 73.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 35.42 112.489 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -55.16 -52.07 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 73.1 110.942 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.12 -43.9 66.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 74.55 111.114 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.17 -45.27 65.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 75.13 110.878 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.94 -30.76 76.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 73.21 112.488 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.19 -42.73 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 74.44 111.119 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.4 t -53.56 -27.93 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 72.42 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.7 -47.05 27.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 75.13 110.885 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -59.9 -30.25 68.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.883 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -50.17 72.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 74.31 111.119 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.8 -30.61 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 54.23 111.124 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -40.83 66.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 73.34 110.916 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.91 19.78 51.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 24.24 112.486 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.24 -122.54 2.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 73.32 112.499 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.73 152.26 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 65.21 110.886 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -166.96 115.88 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 65.11 110.853 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.96 148.14 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.33 110.853 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -74.47 -64.28 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 73.45 110.915 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -179.63 -53.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 53.42 110.89 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 51.14 110.864 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.818 0.342 . . . . 75.22 110.841 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.0 ttm-85 -149.2 102.74 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 55.03 110.863 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.93 -38.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 74.51 110.883 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.78 52.17 2.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 73.25 110.869 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.79 -38.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.44 110.888 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.69 -30.91 67.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 75.43 110.855 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.19 83.99 1.59 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 53.12 112.494 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mt -55.2 -47.44 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 73.1 111.114 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.61 20.63 2.2 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 64.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -75.09 -56.67 4.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 74.4 110.906 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.4 -47.86 53.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 72.32 111.144 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.76 -48.71 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 74.03 111.136 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.19 -28.16 72.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 61.4 112.515 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -55.15 -52.18 64.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 74.32 110.924 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -70.94 -43.67 67.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 70.43 111.119 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.07 -50.88 60.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.919 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.09 -33.32 64.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 74.34 112.515 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.24 -42.99 54.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 73.22 111.124 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.2 t -53.57 -28.27 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 63.31 111.116 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -75.68 -46.14 32.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.87 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -58.37 -30.04 66.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 73.52 110.854 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -48.33 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 72.54 111.095 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.43 -25.4 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 54.12 111.177 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -34.57 74.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 71.32 110.926 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.29 -25.51 75.34 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.765 -0.731 . . . . 60.13 112.465 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.16 -136.91 0.4 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 64.31 112.478 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 p -175.46 96.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 74.2 110.84 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.0 mtm-85 60.01 53.64 4.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 74.42 110.843 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.43 -66.89 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.901 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 49.42 71.26 0.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.943 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -179.64 -61.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 73.53 110.912 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.7 mttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 73.54 110.89 179.864 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.794 0.33 . . . . 70.42 110.826 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.52 129.19 40.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 74.41 110.837 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 p -165.08 105.83 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 75.54 110.89 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.51 32.65 21.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 74.44 110.882 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.36 33.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.89 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -179.28 -34.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 71.13 110.867 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.09 32.33 6.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 74.1 112.537 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.653 ' O ' HD12 ' A' ' 12' ' ' ILE . 54.7 mt -58.65 -72.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.367 . . . . 74.04 111.114 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.3 -20.4 71.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.699 -0.763 . . . . 72.43 112.462 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -63.03 -52.73 61.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.383 . . . . 73.04 110.923 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.89 -57.88 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 70.35 111.095 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.653 HD12 ' O ' ' A' ' 8' ' ' ILE . 7.5 mt -52.17 -48.8 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 63.14 111.145 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.26 -31.55 79.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 61.43 112.524 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -57.8 -52.05 67.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 75.11 110.939 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -67.84 -41.39 83.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 54.54 111.136 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -54.12 -47.61 71.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 62.43 110.847 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.46 -32.71 73.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 65.33 112.488 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.16 -42.94 54.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.347 . . . . 32.21 111.087 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.8 t -53.52 -29.11 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 73.15 111.096 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.63 -43.67 46.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.25 110.9 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -57.68 -27.62 63.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.896 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 -50.19 71.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 64.52 111.08 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.37 -25.37 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.114 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -46.09 65.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.922 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.05 63.33 0.36 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.78 -0.724 . . . . 63.42 112.549 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.4 -127.46 2.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.796 -0.716 . . . . 44.23 112.514 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 p -172.63 154.78 3.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 71.33 110.845 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 62.57 87.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 72.14 110.854 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.09 -168.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 74.55 110.887 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -178.61 115.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 62.21 110.929 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -54.95 -52.65 62.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 71.13 110.924 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 tptt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 63.11 110.856 179.887 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.852 0.358 . . . . 75.21 110.856 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -149.23 89.92 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 73.14 110.844 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 p -165.23 -39.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.892 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -85.69 53.24 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 74.23 110.895 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.22 38.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 73.52 110.918 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -179.24 -34.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 74.3 110.899 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.03 108.07 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 53.54 112.482 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.684 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.5 mp -62.67 -72.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.903 0.382 . . . . 70.15 111.177 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.82 -20.49 62.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 54.22 112.492 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -63.87 -53.32 52.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 61.13 110.902 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.44 -58.12 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 64.31 111.074 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 8' ' ' ILE . 5.5 mt -51.86 -48.99 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.02 111.105 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.34 -28.38 70.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 61.24 112.52 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -61.78 -52.15 65.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.924 0.393 . . . . 71.52 110.942 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.03 82.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 73.22 111.069 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.38 -45.53 65.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 50.52 110.889 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.56 -32.37 81.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 72.44 112.494 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.2 -43.06 54.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 43.35 111.051 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.5 t -53.48 -28.12 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 55.14 111.181 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.63 -44.45 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 74.31 110.866 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.16 -29.51 65.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 64.13 110.88 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.36 81.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.45 111.091 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.83 -35.32 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 71.33 111.118 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.3 -46.65 76.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 42.03 110.883 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.5 58.93 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.783 -0.722 . . . . 41.03 112.538 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.3 -83.96 0.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 63.44 112.512 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -62.2 130.92 47.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 73.32 110.886 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.55 61.32 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 64.01 110.859 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.67 161.05 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 64.54 110.861 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 64.09 79.31 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 71.5 110.932 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -179.61 -40.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 71.11 110.915 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 75.13 110.85 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.788 0.328 . . . . 74.4 110.859 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -84.9 90.06 7.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.837 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t -165.06 -39.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.04 110.83 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.7 mmt-85 -85.69 53.39 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 73.15 110.847 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.3 37.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 72.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -179.31 -34.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.891 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.42 64.08 4.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 73.02 112.48 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.37 -50.52 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.374 . . . . 64.0 111.114 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.77 21.23 4.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 71.14 112.492 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -74.62 -60.88 2.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.939 0.399 . . . . 73.12 110.927 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -51.36 37.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 72.04 111.101 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mt -53.67 -50.99 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 73.32 111.12 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.91 -30.94 79.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 61.4 112.496 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -56.28 -52.14 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 75.14 110.96 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.601 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.15 -40.6 82.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 71.33 111.11 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.75 -55.55 25.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.902 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.73 -33.69 55.7 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 51.32 112.464 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -43.15 53.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 72.02 111.09 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.9 t -53.51 -30.32 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 41.13 111.171 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.66 -44.87 40.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 52.31 110.9 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -33.29 69.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.915 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.91 -46.33 82.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 71.44 111.066 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.27 -36.87 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.424 . . . . 62.44 111.118 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.59 -33.36 45.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 74.52 110.928 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.31 -34.61 3.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 42.14 112.506 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.9 -22.82 30.87 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 52.4 112.502 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.56 164.08 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 75.13 110.892 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.78 89.3 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.84 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -76.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.853 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 174.65 -45.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.934 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -177.09 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 44.1 110.931 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 mttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 63.35 110.885 179.915 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.799 0.333 . . . . 74.52 110.807 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.68 134.43 35.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 65.25 110.905 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.79 -74.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 74.24 110.885 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -85.05 54.85 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 74.43 110.849 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.51 -42.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.32 110.854 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.89 -28.15 65.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 54.02 110.915 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.09 63.31 0.81 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 64.23 112.489 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.7 mm -61.48 -50.68 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 75.33 111.105 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.19 26.4 2.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 71.0 112.497 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -74.24 -61.19 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 73.53 110.863 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.9 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 73.14 111.106 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.76 -48.55 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 70.04 111.092 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.66 -29.37 74.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.685 -0.769 . . . . 73.42 112.513 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -56.96 -52.11 66.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.921 0.391 . . . . 73.34 110.925 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -69.21 -41.22 77.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 71.35 111.129 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -50.06 74.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.888 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.76 -34.4 56.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 62.21 112.502 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.25 -43.06 53.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 62.12 111.115 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 15' ' ' ALA . 82.3 t -53.55 -29.33 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 74.32 111.089 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.68 -44.45 42.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 70.41 110.881 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -58.11 -32.21 67.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.14 110.858 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.92 95.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 63.42 111.129 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.11 -29.89 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.02 111.092 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.84 -30.61 65.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.896 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -147.75 72.87 0.3 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.729 . . . . 54.24 112.503 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.25 -42.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 45.42 112.522 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -22.64 67.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 63.03 110.884 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -157.66 110.94 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 65.51 110.888 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.93 163.23 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.86 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.63 -166.32 1.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 64.43 110.938 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -53.71 -52.91 58.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 74.13 110.9 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 73.5 110.943 179.914 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.865 0.364 . . . . 72.54 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.63 -51.45 27.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 70.01 111.103 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.38 -50.83 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 74.52 111.119 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.46 -32.11 83.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.733 . . . . 51.03 112.482 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -56.62 -52.15 65.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.879 0.371 . . . . 73.33 110.912 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.14 -32.01 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.3 111.091 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -43.23 99.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 64.33 110.903 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.65 -31.76 76.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 62.44 112.519 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.88 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 52.14 111.157 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 15' ' ' ALA . 82.0 t -53.57 -28.23 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.111 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.7 -45.47 36.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 71.12 110.869 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -28.87 66.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 74.13 110.875 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.53 -49.31 77.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 64.41 111.116 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.36 -27.15 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 31.11 111.115 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.956 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.901 0.381 . . . . 74.05 110.916 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.58 -50.65 42.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 74.02 111.122 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.14 -51.43 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.04 111.114 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.75 -29.97 76.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 61.41 112.516 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -57.26 -52.12 66.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 70.54 110.895 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.11 -41.28 82.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 65.32 111.104 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.05 -50.72 63.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 62.4 110.902 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.09 -34.24 58.22 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.781 -0.723 . . . . 71.23 112.44 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.16 -42.98 54.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 74.31 111.097 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.6 t -53.52 -29.91 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 74.44 111.136 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.69 -45.61 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.902 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -58.99 -33.9 71.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 62.23 110.871 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.65 -48.19 80.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 71.15 111.087 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.26 -27.64 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 74.11 111.11 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 73.15 110.904 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.926 0.394 . . . . 75.34 110.931 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.81 -50.57 34.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 73.02 111.109 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mt -53.87 -51.6 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.41 111.143 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.79 -29.5 74.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 72.15 112.524 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -56.57 -52.09 66.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 62.42 110.913 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.31 -37.29 80.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 73.43 111.109 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -49.75 75.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 73.22 110.877 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.08 -30.63 64.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 72.15 112.505 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -42.99 54.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 64.21 111.12 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.6 t -53.58 -32.13 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 72.42 111.096 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.63 -48.89 20.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 74.53 110.899 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -58.53 -31.16 67.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 65.34 110.887 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -50.34 71.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 62.34 111.069 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.32 -27.72 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 65.51 111.126 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.888 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.927 0.394 . . . . 73.24 110.924 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.34 -47.06 87.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 73.21 111.092 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.08 -48.8 87.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.24 111.153 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.4 -29.12 74.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 53.24 112.529 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -55.41 -52.1 64.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 75.23 110.961 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.85 -45.91 66.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 72.34 111.079 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -49.12 65.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 62.33 110.829 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.32 -34.53 54.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 34.44 112.532 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.22 -43.07 53.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 64.2 111.096 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.7 t -53.53 -31.82 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 73.43 111.159 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.63 -45.84 35.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 75.53 110.87 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -58.67 -29.58 66.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 63.32 110.867 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.37 -49.94 75.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 72.21 111.101 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.03 -27.57 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 72.54 111.136 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 63.32 110.928 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.881 0.372 . . . . 71.42 110.944 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -47.04 88.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 70.23 111.086 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.01 -48.88 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 64.43 111.087 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.99 -31.81 80.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 41.42 112.521 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -55.23 -52.2 64.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.913 0.387 . . . . 70.32 110.929 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 -45.58 72.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 72.15 111.105 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.48 -44.29 65.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.858 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.82 -33.96 69.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 51.33 112.484 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.93 54.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 43.51 111.122 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.0 t -53.61 -28.17 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 75.13 111.121 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.63 -46.61 30.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.879 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -29.11 67.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 73.32 110.873 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.42 81.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 64.23 111.127 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.75 -28.51 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 72.42 111.143 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.917 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.851 0.358 . . . . 41.12 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.43 -47.84 53.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 53.33 111.08 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.71 -48.75 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 73.45 111.166 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.24 -28.19 72.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 62.24 112.487 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -55.2 -52.16 64.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 73.41 110.936 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -69.74 -47.12 64.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 51.33 111.096 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -52.3 -55.51 20.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.847 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.39 -32.54 57.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 71.42 112.484 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.27 -42.89 53.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 70.31 111.111 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.3 t -53.56 -31.61 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.32 111.14 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.63 -45.47 37.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 74.1 110.917 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -58.84 -30.8 67.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 71.3 110.878 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.36 76.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.13 111.104 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.06 -32.12 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 72.44 111.106 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 62.43 110.894 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.916 0.389 . . . . 63.44 110.967 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.02 -53.05 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.512 . . . . 44.25 111.06 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.5 -50.52 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 73.41 111.152 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.4 -33.84 87.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 23.01 112.468 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -56.26 -52.12 65.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.919 0.39 . . . . 73.15 110.939 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.603 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.44 -36.35 78.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 71.43 111.075 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.44 -53.03 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.855 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.51 -34.86 55.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 61.24 112.523 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.97 54.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 25.25 111.104 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.4 t -53.59 -28.29 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 70.05 111.118 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.66 -43.61 46.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 45.33 110.926 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -57.83 -30.4 65.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.888 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.13 95.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 64.54 111.126 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.4 -33.31 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 61.35 111.099 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 51.51 110.948 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.835 0.35 . . . . 73.45 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.67 -56.89 5.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 72.43 111.108 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.1 mt -52.98 -47.49 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 63.12 111.09 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.08 -30.0 76.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 52.41 112.495 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -55.25 -52.15 64.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 73.21 110.904 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.634 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.2 -40.07 82.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 74.35 111.089 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.71 -53.38 58.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 74.53 110.91 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.4 -34.09 54.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 54.21 112.475 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.92 54.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 75.33 111.09 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.8 t -53.58 -29.46 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 54.32 111.149 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.65 -46.89 28.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 63.22 110.894 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -58.72 -34.0 70.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.864 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.87 -48.65 77.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 75.44 111.093 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.63 -29.41 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 75.23 111.125 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.903 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.929 0.395 . . . . 65.34 110.878 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.63 -58.42 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 43.25 111.132 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 mt -53.42 -48.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.1 111.104 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.43 -29.99 75.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 52.52 112.524 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -56.62 -52.19 65.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.852 0.358 . . . . 62.24 110.912 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -67.53 -39.14 85.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.05 111.094 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -56.25 24.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 65.14 110.881 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.19 -30.28 47.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 75.31 112.52 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.5 55.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 41.52 111.11 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.6 t -53.49 -29.2 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.3 111.101 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.62 -49.69 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 55.45 110.922 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.51 -31.69 70.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 71.24 110.87 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.09 86.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 64.02 111.109 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.39 -29.72 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 63.24 111.155 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.948 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.859 0.362 . . . . 63.01 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.36 -51.1 32.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 53.3 111.079 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.9 mp -53.98 -51.31 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 70.31 111.164 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.11 -32.08 82.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 73.34 112.459 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -55.58 -52.13 64.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.931 0.396 . . . . 74.03 110.891 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.486 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -67.93 -38.29 82.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 65.3 111.099 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -61.09 -46.88 88.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.1 110.887 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.05 -32.14 66.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 45.33 112.432 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.98 54.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 75.44 111.043 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.7 t -53.56 -31.81 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 72.23 111.141 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.61 -44.68 41.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.878 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -58.05 -29.35 65.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 60.23 110.881 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.24 78.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 71.41 111.14 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.3 -26.14 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.51 111.124 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 54.05 110.922 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.907 0.384 . . . . 74.31 110.946 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.01 88.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 70.42 111.054 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.11 -48.77 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 51.12 111.144 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.3 -30.33 76.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 71.35 112.468 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -55.38 -52.1 64.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.876 0.369 . . . . 73.14 110.897 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -69.71 -44.45 70.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 54.41 111.101 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -54.76 26.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 75.31 110.856 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.6 -32.36 53.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 62.32 112.482 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -43.04 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 71.24 111.092 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 15' ' ' ALA . 82.1 t -53.51 -31.41 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.32 111.151 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.61 -52.93 9.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 65.55 110.917 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -29.24 64.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 60.24 110.885 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.2 -50.22 74.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 54.14 111.102 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.33 -27.45 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.24 111.116 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 70.15 110.964 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.885 0.374 . . . . 73.25 110.916 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.38 -46.04 88.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 75.44 111.129 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.79 -48.28 89.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 63.21 111.13 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.46 -29.15 73.82 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.741 . . . . 64.44 112.501 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -68.82 -52.16 32.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.926 0.393 . . . . 72.05 110.92 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -61.38 -47.53 85.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 64.33 111.121 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -52.96 -51.27 62.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 65.12 110.873 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.0 -34.13 57.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 52.3 112.48 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.91 54.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 72.43 111.129 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.8 t -53.52 -31.79 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.33 111.075 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.66 -45.86 34.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.53 110.868 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -58.0 -31.43 66.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 73.01 110.907 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -45.64 92.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 61.45 111.107 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.36 -26.32 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 61.33 111.16 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 61.51 110.87 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.896 0.379 . . . . 73.32 110.931 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.94 -45.29 67.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 53.34 111.119 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.25 -47.91 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 71.54 111.172 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.48 -28.88 73.64 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.737 -0.745 . . . . 53.41 112.489 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -55.27 -52.09 64.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.855 0.36 . . . . 73.03 110.926 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -71.08 -42.07 69.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 50.03 111.077 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.72 -49.55 67.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 62.2 110.836 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.41 -32.74 68.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 40.25 112.498 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -42.85 55.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 70.52 111.107 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.7 t -53.47 -30.08 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 74.54 111.131 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -75.64 -44.94 40.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 74.32 110.883 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -32.37 69.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 75.21 110.811 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.44 75.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 73.1 111.113 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.42 -27.62 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 72.11 111.142 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.938 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.897 0.38 . . . . 74.42 110.959 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.26 87.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 74.24 111.111 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.96 -48.81 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 45.44 111.129 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.17 -30.21 76.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.788 -0.72 . . . . 34.11 112.49 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -55.33 -52.15 64.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 75.2 110.887 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.57 -40.67 73.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 42.43 111.107 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.78 -48.43 75.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 61.21 110.873 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.64 -33.22 59.15 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.738 -0.744 . . . . 63.31 112.462 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.2 -42.92 54.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 15.12 111.119 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.8 t -53.53 -29.28 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 65.14 111.108 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.7 -46.37 31.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 74.44 110.854 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -28.54 64.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 72.23 110.891 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.17 -48.47 81.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 70.32 111.083 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.75 -34.74 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 62.31 111.168 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 65.02 110.931 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.876 0.37 . . . . 71.22 110.928 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.48 -45.49 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 50.1 111.09 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.44 -48.12 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 73.21 111.141 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.18 -28.4 73.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 35.42 112.489 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -55.16 -52.07 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 73.1 110.942 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.12 -43.9 66.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 74.55 111.114 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.17 -45.27 65.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 75.13 110.878 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.94 -30.76 76.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 73.21 112.488 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.19 -42.73 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 74.44 111.119 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.4 t -53.56 -27.93 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 72.42 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.7 -47.05 27.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 75.13 110.885 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -59.9 -30.25 68.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.883 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -50.17 72.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 74.31 111.119 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.8 -30.61 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 54.23 111.124 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 73.34 110.916 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.873 0.368 . . . . 74.4 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.4 -47.86 53.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 72.32 111.144 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.76 -48.71 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 74.03 111.136 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.19 -28.16 72.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 61.4 112.515 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -55.15 -52.18 64.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 74.32 110.924 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -70.94 -43.67 67.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 70.43 111.119 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.07 -50.88 60.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.919 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.09 -33.32 64.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 74.34 112.515 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.24 -42.99 54.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 73.22 111.124 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.2 t -53.57 -28.27 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 63.31 111.116 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -75.68 -46.14 32.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.87 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -58.37 -30.04 66.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 73.52 110.854 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -48.33 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 72.54 111.095 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.43 -25.4 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 54.12 111.177 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 71.32 110.926 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.903 0.383 . . . . 73.04 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.89 -57.88 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 70.35 111.095 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.5 mt -52.17 -48.8 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 63.14 111.145 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.26 -31.55 79.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 61.43 112.524 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -57.8 -52.05 67.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 75.11 110.939 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -67.84 -41.39 83.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 54.54 111.136 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -54.12 -47.61 71.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 62.43 110.847 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.46 -32.71 73.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 65.33 112.488 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.16 -42.94 54.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.347 . . . . 32.21 111.087 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.8 t -53.52 -29.11 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 73.15 111.096 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.63 -43.67 46.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.25 110.9 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -57.68 -27.62 63.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.896 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 -50.19 71.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 64.52 111.08 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.37 -25.37 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.114 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.922 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.882 0.372 . . . . 61.13 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.44 -58.12 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 64.31 111.074 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.5 mt -51.86 -48.99 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.02 111.105 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.34 -28.38 70.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 61.24 112.52 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -61.78 -52.15 65.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.924 0.393 . . . . 71.52 110.942 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.03 82.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 73.22 111.069 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.38 -45.53 65.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 50.52 110.889 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.56 -32.37 81.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 72.44 112.494 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.2 -43.06 54.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 43.35 111.051 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.5 t -53.48 -28.12 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 55.14 111.181 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.63 -44.45 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 74.31 110.866 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.16 -29.51 65.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 64.13 110.88 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.36 81.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.45 111.091 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.83 -35.32 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 71.33 111.118 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 42.03 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.939 0.399 . . . . 73.12 110.927 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -51.36 37.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 72.04 111.101 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mt -53.67 -50.99 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 73.32 111.12 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.91 -30.94 79.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 61.4 112.496 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -56.28 -52.14 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 75.14 110.96 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.601 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.15 -40.6 82.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 71.33 111.11 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.75 -55.55 25.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.902 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.73 -33.69 55.7 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 51.32 112.464 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -43.15 53.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 72.02 111.09 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.9 t -53.51 -30.32 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 41.13 111.171 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.66 -44.87 40.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 52.31 110.9 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -33.29 69.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.915 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.91 -46.33 82.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 71.44 111.066 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.27 -36.87 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.424 . . . . 62.44 111.118 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 74.52 110.928 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.855 0.36 . . . . 73.53 110.863 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.9 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 73.14 111.106 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.76 -48.55 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 70.04 111.092 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.66 -29.37 74.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.685 -0.769 . . . . 73.42 112.513 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -56.96 -52.11 66.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.921 0.391 . . . . 73.34 110.925 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -69.21 -41.22 77.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 71.35 111.129 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -50.06 74.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.888 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.76 -34.4 56.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 62.21 112.502 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.25 -43.06 53.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 62.12 111.115 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 15' ' ' ALA . 82.3 t -53.55 -29.33 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 74.32 111.089 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.68 -44.45 42.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 70.41 110.881 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -58.11 -32.21 67.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.14 110.858 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.92 95.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 63.42 111.129 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.11 -29.89 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.02 111.092 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.896 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.842 0.353 . . . . 71.12 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.5 mtm-85 -81.26 90.04 6.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 75.22 110.858 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.06 -39.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 54.54 110.851 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -85.71 53.3 2.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 71.23 110.858 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -176.07 -42.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 75.53 110.933 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.54 -31.97 68.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 73.23 110.839 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.32 100.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.738 -0.744 . . . . 44.13 112.472 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.2 mp -63.09 -38.86 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.84 0.353 . . . . 75.42 111.13 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.23 20.35 1.08 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.73 -0.748 . . . . 43.25 112.493 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -75.77 -59.28 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 72.54 110.9 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.63 -51.45 27.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 70.01 111.103 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 mt -53.38 -50.83 46.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 74.52 111.119 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.46 -32.11 83.04 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.733 . . . . 51.03 112.482 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -56.62 -52.15 65.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.879 0.371 . . . . 73.33 110.912 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.454 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.14 -32.01 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 73.3 111.091 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.81 -43.23 99.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 64.33 110.903 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -60.65 -31.76 76.21 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 62.44 112.519 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.88 54.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.36 . . . . 52.14 111.157 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 15' ' ' ALA . 82.0 t -53.57 -28.23 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.111 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -75.7 -45.47 36.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 71.12 110.869 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -28.87 66.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 74.13 110.875 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.53 -49.31 77.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 64.41 111.116 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.36 -27.15 11.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 31.11 111.115 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.85 -48.52 72.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.956 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.88 -64.32 2.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.73 -0.747 . . . . 72.51 112.498 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.7 107.57 2.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.69 -0.766 . . . . 43.51 112.456 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.2 123.49 10.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 74.5 110.83 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -79.21 82.83 5.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 75.45 110.88 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 179.95 146.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.878 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -177.57 114.46 0.09 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 71.33 110.973 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -179.68 116.78 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 74.12 110.86 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 mttt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 75.31 110.886 179.872 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.813 0.339 . . . . 72.01 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -66.96 110.42 3.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 72.14 110.85 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -173.34 -74.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 74.15 110.839 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -84.84 54.86 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 52.45 110.883 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -165.17 33.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 73.34 110.881 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -179.27 -34.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 74.22 110.857 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.6 59.08 0.43 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.754 -0.736 . . . . 64.23 112.46 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.3 mp -55.51 -45.0 78.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.825 0.345 . . . . 60.43 111.155 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -140.43 20.68 2.77 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.769 -0.729 . . . . 74.43 112.496 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -74.64 -60.83 2.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.901 0.381 . . . . 74.05 110.916 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.58 -50.65 42.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 74.02 111.122 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 mt -54.14 -51.43 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.04 111.114 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.75 -29.97 76.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 61.41 112.516 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -57.26 -52.12 66.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 70.54 110.895 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.413 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.11 -41.28 82.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 65.32 111.104 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -53.05 -50.72 63.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 62.4 110.902 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.09 -34.24 58.22 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.781 -0.723 . . . . 71.23 112.44 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.16 -42.98 54.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 74.31 111.097 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.6 t -53.52 -29.91 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.239 -0.437 . . . . 74.44 111.136 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.69 -45.61 35.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.902 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -58.99 -33.9 71.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 62.23 110.871 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.65 -48.19 80.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 71.15 111.087 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.26 -27.64 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 74.11 111.11 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 tp -52.12 -38.47 57.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 73.15 110.904 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.92 19.66 4.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 72.23 112.487 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -107.53 -28.02 5.01 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.723 . . . . 33.25 112.488 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.55 169.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.892 0.377 . . . . 53.42 110.829 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 60.29 94.24 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 72.21 110.864 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.7 t70 179.94 149.14 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 62.14 110.823 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -76.39 70.07 2.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 73.12 110.916 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -179.63 118.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 73.44 110.867 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.879 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.791 0.329 . . . . 73.51 110.871 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -149.2 124.04 9.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.822 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.4 -35.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 73.13 110.874 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.01 34.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 72.11 110.875 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.72 -43.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 72.33 110.875 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.31 -30.23 37.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 70.4 110.934 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.71 93.95 0.89 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.701 -0.761 . . . . 74.41 112.478 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mp -54.82 -27.0 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.841 0.353 . . . . 65.2 111.118 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -155.99 20.66 0.5 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.79 -0.719 . . . . 74.3 112.546 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -72.79 -61.1 1.93 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.926 0.394 . . . . 75.34 110.931 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.81 -50.57 34.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.099 -0.5 . . . . 73.02 111.109 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mt -53.87 -51.6 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.41 111.143 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.79 -29.5 74.95 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.707 -0.759 . . . . 72.15 112.524 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -56.57 -52.09 66.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 62.42 110.913 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.55 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.31 -37.29 80.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 73.43 111.109 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.79 -49.75 75.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 73.22 110.877 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.08 -30.63 64.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.735 -0.745 . . . . 72.15 112.505 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -42.99 54.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 64.21 111.12 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.6 t -53.58 -32.13 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 72.42 111.096 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -75.63 -48.89 20.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 74.53 110.899 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -58.53 -31.16 67.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 65.34 110.887 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -50.34 71.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 62.34 111.069 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.32 -27.72 10.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 65.51 111.126 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.03 -34.41 63.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.888 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.62 -52.83 7.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.742 -0.742 . . . . 74.35 112.486 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.02 -126.26 5.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.71 -0.757 . . . . 74.55 112.528 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -171.01 104.13 0.23 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 72.32 110.873 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -152.23 42.89 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 62.42 110.899 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.93 126.07 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 62.45 110.869 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -161.47 25.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 74.25 110.879 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -179.62 101.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 72.51 110.908 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 pttt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 70.14 110.896 179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.794 0.33 . . . . 74.12 110.855 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.5 ttm180 -70.33 90.09 0.69 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.82 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -167.64 -74.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 64.51 110.915 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -85.04 54.43 3.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.875 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.89 -41.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 71.31 110.899 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -57.57 -28.07 63.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 64.21 110.867 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.74 74.27 2.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 73.4 112.546 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 51.0 mm -53.47 -45.54 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.834 0.35 . . . . 73.15 111.125 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -137.92 22.32 3.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.723 -0.751 . . . . 73.11 112.437 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -76.47 -61.24 2.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.927 0.394 . . . . 73.24 110.924 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.34 -47.06 87.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 73.21 111.092 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.08 -48.8 87.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 73.24 111.153 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.4 -29.12 74.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.754 -0.736 . . . . 53.24 112.529 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -55.41 -52.1 64.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.953 0.406 . . . . 75.23 110.961 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.85 -45.91 66.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.502 . . . . 72.34 111.079 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -49.12 65.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 62.33 110.829 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.32 -34.53 54.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 34.44 112.532 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.22 -43.07 53.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 64.2 111.096 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.7 t -53.53 -31.82 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 73.43 111.159 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.63 -45.84 35.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 75.53 110.87 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -58.67 -29.58 66.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 63.32 110.867 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.37 -49.94 75.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 72.21 111.101 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.03 -27.57 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 72.54 111.136 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.21 -42.73 73.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 63.32 110.928 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -179.68 47.81 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 74.33 112.444 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -110.95 -90.48 2.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.773 -0.727 . . . . 65.31 112.473 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 t -67.08 -22.7 65.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 43.12 110.874 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 58.73 91.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 74.23 110.865 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.96 141.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 64.41 110.852 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -166.18 30.59 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 72.31 110.925 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -53.62 -49.97 66.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 73.04 110.909 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 72.34 110.886 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.2 ptt180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.795 0.331 . . . . 74.11 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.2 176.93 10.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 75.11 110.836 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.63 26.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 74.31 110.889 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.01 30.94 10.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.863 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.29 -42.91 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 72.43 110.943 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -62.36 -29.19 70.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 71.34 110.88 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.92 77.09 0.3 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 74.4 112.464 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mt -60.49 -34.37 57.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 74.34 111.12 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.24 20.9 3.15 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 55.1 112.55 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -76.82 -61.19 2.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.881 0.372 . . . . 71.42 110.944 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -47.04 88.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 70.23 111.086 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.01 -48.88 87.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 64.43 111.087 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.99 -31.81 80.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 41.42 112.521 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -55.23 -52.2 64.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.913 0.387 . . . . 70.32 110.929 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 -45.58 72.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.08 -0.509 . . . . 72.15 111.105 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.48 -44.29 65.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.858 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.82 -33.96 69.75 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 51.33 112.484 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.93 54.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 43.51 111.122 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.0 t -53.61 -28.17 15.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 75.13 111.121 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -75.63 -46.61 30.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.879 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -29.11 67.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 73.32 110.873 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.42 81.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 64.23 111.127 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.75 -28.51 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 72.42 111.143 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -29.55 67.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 75.24 110.917 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.49 -61.05 7.91 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.727 -0.749 . . . . 74.11 112.482 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 98.95 43.61 2.59 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 41.13 112.473 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.42 86.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.875 0.369 . . . . 75.14 110.88 -179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -87.0 6.27 33.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 71.21 110.877 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 179.95 -53.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 75.32 110.852 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -169.79 38.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 74.11 110.917 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -179.66 -67.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 72.3 110.916 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 70.02 110.942 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.828 0.347 . . . . 74.03 110.867 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.4 mtp180 -69.49 138.9 53.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 72.23 110.889 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.59 26.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 75.1 110.86 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.74 36.0 13.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.483 . . . . 62.32 110.854 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -147.88 -42.6 0.17 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 70.32 110.893 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.72 -27.85 65.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 75.15 110.887 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.41 115.8 1.3 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 62.34 112.469 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 40.3 mm -70.83 -34.38 55.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.881 0.372 . . . . 72.42 111.134 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.77 19.95 2.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.723 -0.751 . . . . 72.4 112.477 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -70.9 -60.06 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 41.12 110.874 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.43 -47.84 53.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 53.33 111.08 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.71 -48.75 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 73.45 111.166 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.24 -28.19 72.62 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.733 -0.746 . . . . 62.24 112.487 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -55.2 -52.16 64.24 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.892 0.377 . . . . 73.41 110.936 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -69.74 -47.12 64.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 51.33 111.096 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -52.3 -55.51 20.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 73.23 110.847 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.39 -32.54 57.74 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 71.42 112.484 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.27 -42.89 53.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 70.31 111.111 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.3 t -53.56 -31.61 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 72.32 111.14 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.63 -45.47 37.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 74.1 110.917 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -58.84 -30.8 67.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 71.3 110.878 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.86 -49.36 76.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 74.13 111.104 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.06 -32.12 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 72.44 111.106 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.6 -40.04 62.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 62.43 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -102.94 69.36 0.31 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 64.22 112.481 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.83 -117.03 0.94 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 51.41 112.465 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.82 137.6 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 73.54 110.851 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -156.02 55.16 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.5 . . . . 74.55 110.864 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -57.08 102.24 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 53.21 110.872 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -168.73 121.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 73.35 110.881 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -54.63 -70.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 72.43 110.883 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 63.1 110.884 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.3 mmt-85 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.785 0.326 . . . . 73.55 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 57.4 mtm180 -64.18 111.06 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 71.31 110.822 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.39 -35.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.468 . . . . 72.45 110.889 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 -85.62 4.26 37.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 74.02 110.893 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -149.88 -42.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.879 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -68.28 -26.19 65.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 74.02 110.902 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.52 82.73 0.68 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.731 -0.747 . . . . 73.11 112.483 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mp -63.51 -30.29 49.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.879 0.371 . . . . 74.41 111.112 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.93 19.73 1.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 54.3 112.485 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -75.14 -58.6 3.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.916 0.389 . . . . 63.44 110.967 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.02 -53.05 19.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.512 . . . . 44.25 111.06 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -53.5 -50.52 48.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 73.41 111.152 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.4 -33.84 87.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 23.01 112.468 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -56.26 -52.12 65.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.919 0.39 . . . . 73.15 110.939 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.603 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.44 -36.35 78.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 71.43 111.075 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -55.44 -53.03 61.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 75.44 110.855 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.51 -34.86 55.64 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 61.24 112.523 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.97 54.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 25.25 111.104 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.4 t -53.59 -28.29 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 70.05 111.118 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -75.66 -43.61 46.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.148 -0.478 . . . . 45.33 110.926 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.6 mtm-85 -57.83 -30.4 65.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 73.43 110.888 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.83 -45.13 95.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 64.54 111.126 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.4 -33.31 12.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 61.35 111.099 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -30.29 67.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 51.51 110.948 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -109.7 -56.61 0.53 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.737 . . . . 64.41 112.5 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 147.8 146.0 4.27 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.741 . . . . 43.14 112.504 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.32 173.05 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 61.44 110.892 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.5 ttm-85 -153.7 50.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.859 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.95 153.73 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 54.21 110.863 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -162.35 120.75 2.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 74.33 110.907 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -179.68 120.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.126 -0.488 . . . . 41.23 110.858 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.2 mttm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 70.43 110.882 179.903 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.806 0.336 . . . . 74.2 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 8.1 ptp85 -82.46 142.72 31.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 73.22 110.842 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.7 t -167.54 -74.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 75.15 110.863 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.23 54.22 3.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 64.21 110.865 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -169.45 -38.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 74.41 110.927 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -54.18 -31.9 54.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.898 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.12 102.79 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.794 -0.717 . . . . 64.25 112.447 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.665 ' O ' HD12 ' A' ' 12' ' ' ILE . 46.9 mm -61.89 -70.98 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.911 0.386 . . . . 63.23 111.136 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.89 -20.49 62.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.721 -0.752 . . . . 74.01 112.5 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -62.67 -51.73 66.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.835 0.35 . . . . 73.45 110.883 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.67 -56.89 5.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 72.43 111.108 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 8' ' ' ILE . 5.1 mt -52.98 -47.49 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 63.12 111.09 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.08 -30.0 76.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 52.41 112.495 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -55.25 -52.15 64.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.887 0.375 . . . . 73.21 110.904 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.634 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.2 -40.07 82.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 74.35 111.089 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -57.71 -53.38 58.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 74.53 110.91 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.4 -34.09 54.09 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 54.21 112.475 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -42.92 54.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 75.33 111.09 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.8 t -53.58 -29.46 17.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 54.32 111.149 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.65 -46.89 28.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 63.22 110.894 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -58.72 -34.0 70.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 72.11 110.864 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.87 -48.65 77.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 75.44 111.093 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.63 -29.41 11.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 75.23 111.125 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.88 -34.71 55.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 74.54 110.903 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.93 -48.41 7.77 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.699 -0.762 . . . . 51.33 112.527 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.46 132.74 2.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 72.31 112.48 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 t -173.73 150.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.842 0.353 . . . . 34.21 110.867 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -81.23 62.83 5.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 74.12 110.872 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.97 161.18 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 70.4 110.868 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 49.46 63.84 1.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 63.1 110.893 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -53.33 -29.74 35.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 53.12 110.911 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 63.23 110.922 179.925 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.806 0.336 . . . . 64.21 110.874 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.67 90.05 0.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 75.33 110.837 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.13 -39.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 64.21 110.832 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.1 tpt85 -85.71 53.39 2.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 65.14 110.912 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -174.0 -40.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.881 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.4 -29.11 70.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.875 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.13 89.58 1.48 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.765 -0.731 . . . . 41.5 112.499 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.698 ' O ' HD12 ' A' ' 12' ' ' ILE . 3.1 mp -71.56 -71.85 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 61.11 111.105 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.71 -19.87 67.66 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 63.5 112.527 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -64.22 -54.19 37.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.929 0.395 . . . . 65.34 110.878 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.63 -58.42 5.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 43.25 111.132 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.698 HD12 ' O ' ' A' ' 8' ' ' ILE . 5.5 mt -53.42 -48.68 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.1 111.104 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.43 -29.99 75.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 52.52 112.524 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -56.62 -52.19 65.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.852 0.358 . . . . 62.24 110.912 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -67.53 -39.14 85.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 74.05 111.094 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -57.96 -56.25 24.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 65.14 110.881 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.19 -30.28 47.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 75.31 112.52 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.18 -42.5 55.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 41.52 111.11 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.6 t -53.49 -29.2 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 74.3 111.101 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -75.62 -49.69 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 55.45 110.922 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.51 -31.69 70.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 71.24 110.87 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.09 86.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 64.02 111.109 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.39 -29.72 10.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 63.24 111.155 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.87 -33.28 55.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 75.42 110.948 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.95 30.86 3.29 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.707 -0.758 . . . . 73.12 112.49 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.81 148.33 0.9 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 51.21 112.503 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.15 -22.74 66.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 54.4 110.844 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -172.73 120.76 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 72.35 110.893 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -56.79 -58.96 5.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 65.32 110.909 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -162.82 -48.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.946 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -179.85 47.94 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 74.14 110.933 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 72.33 110.896 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.4 ttp180 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.815 0.341 . . . . 73.41 110.854 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 122.73 16.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 72.11 110.829 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.59 26.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.858 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -155.84 26.83 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 74.51 110.858 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -158.31 -45.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 54.42 110.867 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -59.8 -26.55 65.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.906 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.47 76.39 0.31 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.758 -0.734 . . . . 74.13 112.51 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 mt -53.16 -43.21 48.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.841 0.353 . . . . 74.12 111.124 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.02 21.39 3.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 71.23 112.499 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -74.95 -59.52 2.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.362 . . . . 63.01 110.914 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.36 -51.1 32.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 53.3 111.079 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.9 mp -53.98 -51.31 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 70.31 111.164 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.11 -32.08 82.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 73.34 112.459 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -55.58 -52.13 64.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.931 0.396 . . . . 74.03 110.891 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.486 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -67.93 -38.29 82.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 65.3 111.099 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -61.09 -46.88 88.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 74.1 110.887 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.05 -32.14 66.4 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.746 -0.74 . . . . 45.33 112.432 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.98 54.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.826 0.346 . . . . 75.44 111.043 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.7 t -53.56 -31.81 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 72.23 111.141 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.61 -44.68 41.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 74.41 110.878 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -58.05 -29.35 65.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 60.23 110.881 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.81 -49.24 78.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 71.41 111.14 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.3 -26.14 10.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 73.51 111.124 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.19 -35.77 72.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 54.05 110.922 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.3 -19.81 72.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 72.14 112.496 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -134.23 46.2 1.07 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 44.42 112.454 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 t -170.59 151.7 3.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.91 0.386 . . . . 74.24 110.836 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.3 ptm180 -153.49 24.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 61.3 110.862 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -55.57 -37.17 67.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 72.11 110.86 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 49.46 70.24 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.93 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -53.37 -60.83 2.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 51.55 110.941 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.4 pttm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 61.34 110.856 179.912 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.812 0.339 . . . . 63.22 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -149.22 127.53 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 71.31 110.873 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.59 26.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 63.3 110.897 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -165.56 41.32 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.059 -0.519 . . . . 74.41 110.833 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.69 -41.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.913 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -58.49 -31.31 67.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.41 110.857 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.15 92.39 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.771 -0.728 . . . . 55.41 112.465 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.0 mp -62.04 -53.88 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.906 0.384 . . . . 73.52 111.15 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.33 20.58 3.15 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.777 -0.725 . . . . 75.14 112.525 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -76.27 -61.13 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.907 0.384 . . . . 74.31 110.946 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.05 -47.01 88.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 70.42 111.054 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -61.11 -48.77 87.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 51.12 111.144 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.3 -30.33 76.5 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.737 -0.744 . . . . 71.35 112.468 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -55.38 -52.1 64.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.876 0.369 . . . . 73.14 110.897 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -69.71 -44.45 70.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 54.41 111.101 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -52.21 -54.76 26.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 75.31 110.856 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.6 -32.36 53.55 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 62.32 112.482 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -43.04 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 71.24 111.092 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 15' ' ' ALA . 82.1 t -53.51 -31.41 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.32 111.151 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.61 -52.93 9.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 65.55 110.917 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -29.24 64.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 60.24 110.885 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.2 -50.22 74.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 54.14 111.102 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.33 -27.45 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 75.24 111.116 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.52 -30.41 63.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 70.15 110.964 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -131.48 66.63 0.57 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.753 -0.737 . . . . 42.5 112.502 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.4 -101.51 2.75 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.731 -0.747 . . . . 64.45 112.469 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.66 -34.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.885 0.374 . . . . 71.42 110.855 -179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.3 mtm-85 59.07 89.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 74.1 110.83 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.94 132.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 61.35 110.859 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -163.54 63.74 0.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.906 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -179.66 73.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 75.13 110.895 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.8 mttm . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 62.41 110.894 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 25.7 ptt-85 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.824 0.345 . . . . 73.05 110.889 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 mtm-85 -77.16 92.8 3.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 55.24 110.889 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.57 26.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 72.41 110.849 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -173.68 33.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 74.54 110.875 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -154.59 -42.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 62.32 110.868 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -60.21 -26.58 66.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 62.33 110.888 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.18 91.23 2.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.755 -0.736 . . . . 43.42 112.497 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 mp -52.43 -45.85 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 71.13 111.112 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.74 25.69 1.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 71.31 112.455 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -76.98 -61.18 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.885 0.374 . . . . 73.25 110.916 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.38 -46.04 88.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 75.44 111.129 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.79 -48.28 89.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 63.21 111.13 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.46 -29.15 73.82 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.743 -0.741 . . . . 64.44 112.501 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -68.82 -52.16 32.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.926 0.393 . . . . 72.05 110.92 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.427 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -61.38 -47.53 85.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 64.33 111.121 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -52.96 -51.27 62.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 65.12 110.873 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.0 -34.13 57.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.761 -0.733 . . . . 52.3 112.48 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.22 -42.91 54.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 72.43 111.129 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.8 t -53.52 -31.79 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.33 111.075 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -75.66 -45.86 34.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 73.53 110.868 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -58.0 -31.43 66.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 73.01 110.907 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.32 -45.64 92.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 61.45 111.107 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.36 -26.32 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 61.33 111.16 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -26.32 66.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 61.51 110.87 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.8 -51.6 9.1 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.691 -0.766 . . . . 71.35 112.486 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -103.88 43.64 1.63 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 53.31 112.456 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.71 134.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.832 0.349 . . . . 74.1 110.841 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -151.93 27.64 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 53.35 110.866 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -54.12 103.7 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 61.32 110.881 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -58.4 -54.36 47.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 75.35 110.878 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -61.53 90.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 74.1 110.882 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.44 110.869 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.774 0.321 . . . . 51.4 110.85 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -149.16 129.22 13.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.888 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 p -165.05 105.8 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.51 110.863 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.88 53.92 11.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 64.34 110.848 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.5 35.83 0.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 70.53 110.909 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.25 -34.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 65.15 110.879 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.1 48.26 0.89 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 45.23 112.466 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.3 mp -52.19 -36.75 21.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 72.23 111.171 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -146.22 21.77 1.74 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 55.31 112.476 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -74.07 -60.1 2.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.896 0.379 . . . . 73.32 110.931 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.94 -45.29 67.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 53.34 111.119 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.25 -47.91 90.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 71.54 111.172 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.48 -28.88 73.64 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.737 -0.745 . . . . 53.41 112.489 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -55.27 -52.09 64.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.855 0.36 . . . . 73.03 110.926 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -71.08 -42.07 69.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 50.03 111.077 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.72 -49.55 67.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 62.2 110.836 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.41 -32.74 68.96 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 40.25 112.498 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -42.85 55.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.82 0.343 . . . . 70.52 111.107 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.7 t -53.47 -30.08 17.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 74.54 111.131 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -75.64 -44.94 40.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 74.32 110.883 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -32.37 69.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 75.21 110.811 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.85 -49.44 75.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 73.1 111.113 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.42 -27.62 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 72.11 111.142 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.12 -29.11 65.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.938 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -129.67 30.75 3.52 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 72.41 112.494 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -99.86 -65.25 0.82 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 70.43 112.468 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.9 t -173.18 156.97 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.351 . . . . 73.3 110.836 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.82 104.38 2.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 75.25 110.862 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 179.93 36.42 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 74.53 110.887 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -162.65 27.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 75.33 110.903 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -179.66 126.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 74.02 110.915 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 72.4 110.929 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.786 0.327 . . . . 74.25 110.868 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.67 173.99 8.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.904 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.95 23.99 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 51.02 110.888 -179.768 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.27 33.88 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 72.01 110.851 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -165.13 34.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 62.42 110.91 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -179.3 -34.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 32.32 110.893 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.96 78.81 0.24 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.695 -0.764 . . . . 73.14 112.478 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mp -55.84 -45.08 79.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 74.2 111.13 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.15 23.91 3.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.736 -0.745 . . . . 71.31 112.476 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -76.41 -61.04 2.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.897 0.38 . . . . 74.42 110.959 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.26 87.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 74.24 111.111 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.96 -48.81 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 45.44 111.129 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -66.17 -30.21 76.4 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.788 -0.72 . . . . 34.11 112.49 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -55.33 -52.15 64.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 75.2 110.887 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.57 -40.67 73.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.491 . . . . 42.43 111.107 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -55.78 -48.43 75.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 61.21 110.873 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.64 -33.22 59.15 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.738 -0.744 . . . . 63.31 112.462 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.2 -42.92 54.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 15.12 111.119 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.8 t -53.53 -29.28 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 65.14 111.108 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -75.7 -46.37 31.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 74.44 110.854 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.21 -28.54 64.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 72.23 110.891 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.17 -48.47 81.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 70.32 111.083 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.75 -34.74 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 62.31 111.168 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.76 -37.44 68.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 65.02 110.931 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.47 -47.71 1.27 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 74.15 112.452 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.78 78.44 1.04 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 62.31 112.465 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.0 171.39 5.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.37 . . . . 73.34 110.842 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -155.33 96.04 1.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 73.45 110.831 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 179.93 35.27 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 53.21 110.888 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -64.52 -61.67 2.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 64.41 110.933 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -179.69 -50.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 64.34 110.921 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.9 mttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 72.22 110.921 179.88 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.846 0.355 . . . . 75.34 110.86 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.53 164.78 4.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 75.12 110.886 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.95 23.99 12.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.873 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -168.38 36.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 71.5 110.886 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -168.85 34.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 75.5 110.895 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.27 -34.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 70.12 110.866 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.26 78.62 1.42 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 72.03 112.476 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mp -58.69 -43.81 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.367 . . . . 73.45 111.146 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.64 23.58 1.99 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 51.31 112.478 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -76.65 -59.91 2.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.876 0.37 . . . . 71.22 110.928 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.48 -45.49 68.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 50.1 111.09 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.44 -48.12 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.43 . . . . 73.21 111.141 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.18 -28.4 73.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.702 -0.761 . . . . 35.42 112.489 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -55.16 -52.07 64.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 73.1 110.942 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.12 -43.9 66.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 74.55 111.114 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.17 -45.27 65.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 75.13 110.878 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.94 -30.76 76.24 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.761 -0.733 . . . . 73.21 112.488 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.19 -42.73 55.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 74.44 111.119 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 81.4 t -53.56 -27.93 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 72.42 111.136 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.7 -47.05 27.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 75.13 110.885 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -59.9 -30.25 68.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.883 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.22 -50.17 72.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 74.31 111.119 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.8 -30.61 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 54.23 111.124 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -40.83 66.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 73.34 110.916 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -93.91 19.78 51.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 24.24 112.486 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.24 -122.54 2.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.741 -0.742 . . . . 73.32 112.499 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.73 152.26 3.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 65.21 110.886 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -166.96 115.88 0.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 65.11 110.853 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.96 148.14 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 73.33 110.853 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -74.47 -64.28 1.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 73.45 110.915 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -179.63 -53.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 53.42 110.89 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 51.14 110.864 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 4.5 mtm180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.818 0.342 . . . . 75.22 110.841 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 47.0 ttm-85 -149.2 102.74 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 55.03 110.863 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.93 -38.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 74.51 110.883 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.78 52.17 2.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 73.25 110.869 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.79 -38.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.44 110.888 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.69 -30.91 67.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 75.43 110.855 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.19 83.99 1.59 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 53.12 112.494 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mt -55.2 -47.44 77.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.35 . . . . 73.1 111.114 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.61 20.63 2.2 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 64.0 112.485 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -75.09 -56.67 4.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.873 0.368 . . . . 74.4 110.906 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.4 -47.86 53.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 72.32 111.144 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.76 -48.71 87.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 74.03 111.136 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.19 -28.16 72.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.713 -0.756 . . . . 61.4 112.515 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -55.15 -52.18 64.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.917 0.389 . . . . 74.32 110.924 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -70.94 -43.67 67.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 70.43 111.119 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -52.07 -50.88 60.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 74.4 110.919 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.09 -33.32 64.18 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.75 . . . . 74.34 112.515 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.24 -42.99 54.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 73.22 111.124 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.2 t -53.57 -28.27 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 63.31 111.116 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -75.68 -46.14 32.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.32 110.87 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -58.37 -30.04 66.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 73.52 110.854 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.05 -48.33 82.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 72.54 111.095 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.43 -25.4 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 54.12 111.177 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -34.57 74.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 71.32 110.926 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.29 -25.51 75.34 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.765 -0.731 . . . . 60.13 112.465 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -74.16 -136.91 0.4 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 64.31 112.478 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.9 p -175.46 96.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 74.2 110.84 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.0 mtm-85 60.01 53.64 4.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 74.42 110.843 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -54.43 -66.89 0.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 74.32 110.901 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 49.42 71.26 0.4 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 75.11 110.943 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -179.64 -61.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 73.53 110.912 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.7 mttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 73.54 110.89 179.864 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.794 0.33 . . . . 70.42 110.826 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -60.52 129.19 40.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.462 . . . . 74.41 110.837 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 p -165.08 105.83 0.79 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 75.54 110.89 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.51 32.65 21.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 74.44 110.882 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.36 33.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.14 110.89 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -179.28 -34.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.442 . . . . 71.13 110.867 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.09 32.33 6.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 74.1 112.537 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.653 ' O ' HD12 ' A' ' 12' ' ' ILE . 54.7 mt -58.65 -72.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.367 . . . . 74.04 111.114 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.3 -20.4 71.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.699 -0.763 . . . . 72.43 112.462 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -63.03 -52.73 61.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.903 0.383 . . . . 73.04 110.923 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.89 -57.88 4.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 70.35 111.095 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.653 HD12 ' O ' ' A' ' 8' ' ' ILE . 7.5 mt -52.17 -48.8 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 63.14 111.145 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.26 -31.55 79.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.733 -0.746 . . . . 61.43 112.524 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -57.8 -52.05 67.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 75.11 110.939 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.41 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -67.84 -41.39 83.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 54.54 111.136 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -54.12 -47.61 71.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 62.43 110.847 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.46 -32.71 73.7 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 65.33 112.488 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.16 -42.94 54.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.83 0.347 . . . . 32.21 111.087 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.8 t -53.52 -29.11 16.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 73.15 111.096 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.63 -43.67 46.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 75.25 110.9 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -57.68 -27.62 63.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.14 110.896 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.12 -50.19 71.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 64.52 111.08 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.37 -25.37 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 73.41 111.114 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.09 -46.09 65.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 72.45 110.922 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.05 63.33 0.36 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.78 -0.724 . . . . 63.42 112.549 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -143.4 -127.46 2.1 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.796 -0.716 . . . . 44.23 112.514 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 p -172.63 154.78 3.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 71.33 110.845 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 62.57 87.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 72.14 110.854 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -60.09 -168.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 74.55 110.887 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -178.61 115.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 62.21 110.929 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -54.95 -52.65 62.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 71.13 110.924 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 tptt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 63.11 110.856 179.887 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.852 0.358 . . . . 75.21 110.856 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -149.23 89.92 1.69 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 73.14 110.844 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 p -165.23 -39.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.892 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -85.69 53.24 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 74.23 110.895 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.22 38.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 73.52 110.918 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -179.24 -34.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 74.3 110.899 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.03 108.07 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 53.54 112.482 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.684 ' O ' HD12 ' A' ' 12' ' ' ILE . 4.5 mp -62.67 -72.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.903 0.382 . . . . 70.15 111.177 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.82 -20.49 62.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 54.22 112.492 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -63.87 -53.32 52.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.882 0.372 . . . . 61.13 110.902 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.44 -58.12 4.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 64.31 111.074 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 8' ' ' ILE . 5.5 mt -51.86 -48.99 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.02 111.105 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.34 -28.38 70.88 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 61.24 112.52 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -61.78 -52.15 65.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.924 0.393 . . . . 71.52 110.942 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.03 82.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 73.22 111.069 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -52.38 -45.53 65.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 50.52 110.889 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.56 -32.37 81.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 72.44 112.494 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.2 -43.06 54.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 43.35 111.051 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 82.5 t -53.48 -28.12 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 55.14 111.181 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -75.63 -44.45 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 74.31 110.866 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.16 -29.51 65.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 64.13 110.88 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.91 -48.36 81.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.45 111.091 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.83 -35.32 14.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.454 . . . . 71.33 111.118 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.3 -46.65 76.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 42.03 110.883 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 179.5 58.93 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.783 -0.722 . . . . 41.03 112.538 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -132.3 -83.96 0.25 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 63.44 112.512 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 m -62.2 130.92 47.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 73.32 110.886 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.55 61.32 4.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 64.01 110.859 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -178.67 161.05 1.24 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 64.54 110.861 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 64.09 79.31 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 71.5 110.932 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -179.61 -40.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.108 -0.497 . . . . 71.11 110.915 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 75.13 110.85 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.788 0.328 . . . . 74.4 110.859 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -84.9 90.06 7.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 75.53 110.837 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 t -165.06 -39.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 74.04 110.83 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.7 mmt-85 -85.69 53.39 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 73.15 110.847 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.3 37.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 72.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -179.31 -34.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 72.32 110.891 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.42 64.08 4.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.762 -0.733 . . . . 73.02 112.48 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.3 mp -62.37 -50.52 79.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.374 . . . . 64.0 111.114 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -130.77 21.23 4.74 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 71.14 112.492 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -74.62 -60.88 2.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.939 0.399 . . . . 73.12 110.927 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.43 -51.36 37.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.088 -0.505 . . . . 72.04 111.101 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mt -53.67 -50.99 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 73.32 111.12 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.91 -30.94 79.17 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 61.4 112.496 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -56.28 -52.14 65.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 75.14 110.96 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.601 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -68.15 -40.6 82.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 71.33 111.11 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -53.75 -55.55 25.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 73.23 110.902 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.73 -33.69 55.7 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.759 -0.734 . . . . 51.32 112.464 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.17 -43.15 53.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 72.02 111.09 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 15' ' ' ALA . 81.9 t -53.51 -30.32 17.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 41.13 111.171 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -75.66 -44.87 40.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 52.31 110.9 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -33.29 69.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 73.43 110.915 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.91 -46.33 82.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 71.44 111.066 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.27 -36.87 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.424 . . . . 62.44 111.118 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.59 -33.36 45.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 74.52 110.928 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -103.31 -34.61 3.86 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 42.14 112.506 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 105.9 -22.82 30.87 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 52.4 112.502 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.56 164.08 1.56 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 75.13 110.892 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.78 89.3 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 73.04 110.84 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -76.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 74.25 110.853 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 174.65 -45.53 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 74.1 110.934 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -177.09 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 44.1 110.931 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 mttt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 63.35 110.885 179.915 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.799 0.333 . . . . 74.52 110.807 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.68 134.43 35.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 65.25 110.905 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.79 -74.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 74.24 110.885 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -85.05 54.85 3.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 74.43 110.849 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.51 -42.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 73.32 110.854 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.89 -28.15 65.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 54.02 110.915 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.09 63.31 0.81 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 64.23 112.489 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.7 mm -61.48 -50.68 79.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 75.33 111.105 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.19 26.4 2.32 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.718 -0.753 . . . . 71.0 112.497 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -74.24 -61.19 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.855 0.36 . . . . 73.53 110.863 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.9 -48.52 81.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 73.14 111.106 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.76 -48.55 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 70.04 111.092 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.66 -29.37 74.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.685 -0.769 . . . . 73.42 112.513 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -56.96 -52.11 66.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.921 0.391 . . . . 73.34 110.925 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 19' ' ' VAL . . . -69.21 -41.22 77.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 71.35 111.129 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -50.06 74.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 72.41 110.888 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.76 -34.4 56.58 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.737 . . . . 62.21 112.502 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.25 -43.06 53.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 62.12 111.115 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 15' ' ' ALA . 82.3 t -53.55 -29.33 16.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 74.32 111.089 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -75.68 -44.45 42.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 70.41 110.881 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -58.11 -32.21 67.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.14 110.858 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.92 95.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 63.42 111.129 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.7 t -81.11 -29.89 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.02 111.092 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.84 -30.61 65.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 74.44 110.896 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -147.75 72.87 0.3 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.77 -0.729 . . . . 54.24 112.503 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.25 -42.16 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.761 -0.733 . . . . 45.42 112.522 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.01 -22.64 67.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.914 0.388 . . . . 63.03 110.884 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -157.66 110.94 2.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 65.51 110.888 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 179.93 163.23 1.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 72.13 110.86 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -161.63 -166.32 1.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 64.43 110.938 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -53.71 -52.91 58.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 74.13 110.9 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.1 tttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 73.5 110.943 179.914 . . . . . . . . 0 0 . 1 stop_ save_