data_2llr_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 2llr _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 ' 4' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.909 0.385 . . . . 71.25 110.955 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.3 m -90.03 142.16 27.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 73.32 111.12 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -139.53 149.04 43.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.41 110.84 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -150.92 155.05 38.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 64.01 110.934 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.3 p90 -170.5 146.33 2.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 70.14 110.946 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -68.58 132.79 47.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.899 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 t -130.71 156.46 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 74.13 111.13 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.26 -156.52 1.58 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.72 . . . . 75.25 112.465 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -129.2 41.97 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 75.43 110.859 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -165.98 52.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.876 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.97 -174.12 16.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 71.31 112.489 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -128.7 179.31 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 75.12 110.889 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.9 t -140.24 143.25 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 75.23 111.139 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.68 135.9 53.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 60.31 110.904 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.2 ptm -128.1 147.78 50.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 75.22 110.873 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 75.45 110.867 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.957 0.408 . . . . 74.22 110.924 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.9 m -94.72 139.2 31.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.24 111.156 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -137.45 146.49 44.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.854 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 m -122.44 172.18 8.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 63.25 110.866 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 23.8 p90 -153.2 164.21 38.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 75.53 110.923 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.56 98.15 6.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 73.35 110.877 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.28 162.55 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 75.42 111.124 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.95 -153.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.779 -0.724 . . . . 72.43 112.44 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.66 79.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 71.22 110.89 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -175.3 32.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 75.34 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.38 -174.6 37.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 71.42 112.536 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.7 mtm-85 -91.6 164.89 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 74.42 110.821 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.0 t -151.2 144.16 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 71.31 111.114 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.2 m -119.8 131.73 55.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 75.43 110.898 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -104.93 146.39 29.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.872 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.85 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.4 p90 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.906 0.384 . . . . 74.11 110.964 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.9 m -86.1 129.86 34.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 75.54 111.205 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.3 mmt-85 -139.52 149.86 44.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 74.54 110.894 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 m -119.36 173.63 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.875 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 13.3 p90 -159.27 147.32 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 75.41 110.902 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.5 124.7 21.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 73.31 110.889 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 t -108.97 164.38 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 75.15 111.089 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.82 -154.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 73.12 112.505 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.84 78.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 73.4 110.897 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -175.42 32.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.882 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.78 -174.76 35.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 72.4 112.46 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -87.8 171.56 10.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 63.3 110.86 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.1 t -149.61 144.51 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.42 111.117 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 77.9 m -127.14 135.32 50.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.908 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.1 ptm -134.25 148.38 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.05 110.857 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.819 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.975 0.417 . . . . 73.14 110.888 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.1 m -94.74 143.43 26.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 72.01 111.14 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.22 161.48 36.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.866 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.07 160.14 35.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 75.15 110.887 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 19.6 p90 -161.95 150.42 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.932 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -72.11 130.17 40.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 73.51 110.873 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 t -113.11 165.2 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 74.01 111.142 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.24 -150.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 52.45 112.525 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -70.15 77.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 71.13 110.902 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -175.31 32.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 72.2 110.871 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.63 -175.23 17.03 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.738 -0.744 . . . . 74.41 112.454 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -96.92 171.7 8.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 75.03 110.874 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -152.09 140.51 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 75.54 111.105 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 95.9 m -116.47 127.54 54.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 73.31 110.878 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -99.3 146.42 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 71.05 110.9 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.21 110.844 -179.873 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.009 0.433 . . . . 73.22 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.9 m -75.71 124.77 27.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 72.24 111.137 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -137.74 143.47 41.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.818 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 m -138.18 137.37 37.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.858 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -145.93 144.04 29.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 74.53 110.903 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 126.36 30.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.885 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.9 t -125.42 157.76 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 75.33 111.086 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 50.97 -159.56 1.81 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 72.34 112.49 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -127.82 51.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.364 . . . . 74.42 110.87 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -163.71 50.65 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 72.14 110.861 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.22 -173.46 14.74 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 61.33 112.474 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 mpp_? -128.19 177.02 7.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 74.44 110.859 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -120.7 142.65 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 72.22 111.156 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.4 t -145.11 106.36 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.847 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 28.2 mmt -86.23 147.63 26.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 71.41 110.874 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 73.35 110.889 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.7 p90 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.97 0.414 . . . . 74.14 110.892 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.9 m -100.41 131.42 46.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 74.2 111.18 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -135.41 145.1 46.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 74.5 110.863 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 m -121.6 177.57 5.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 72.22 110.901 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 22.2 p90 -167.23 145.61 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.888 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.17 90.67 8.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 72.35 110.91 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 p -89.09 152.33 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 73.32 111.097 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.28 -160.35 1.84 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.787 -0.72 . . . . 72.43 112.446 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.42 51.79 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 74.02 110.876 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -163.42 50.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.861 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.97 -173.73 15.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.759 -0.734 . . . . 64.4 112.468 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -136.35 174.04 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.906 0.384 . . . . 72.41 110.849 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.8 t -151.67 142.67 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.3 111.123 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 t -122.14 147.27 46.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.905 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 11.9 ptt? -136.82 149.44 47.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 71.31 110.862 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 73.23 110.855 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.96 0.409 . . . . 75.24 110.953 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -78.2 141.67 38.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 71.23 111.129 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.3 162.82 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 75.34 110.857 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -159.12 167.07 30.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 64.1 110.878 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -169.06 169.11 9.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.92 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -86.0 129.94 34.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.905 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 t -112.57 164.61 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 61.02 111.116 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.32 -150.21 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.745 -0.74 . . . . 53.55 112.475 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -70.04 77.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 75.51 110.865 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -175.33 32.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.892 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.06 -175.25 19.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 53.31 112.5 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 mtm-85 -90.13 172.37 8.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 74.52 110.906 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.5 t -151.3 128.41 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 75.51 111.099 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 57.5 m -119.32 120.3 36.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 71.12 110.852 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.5 mmt -123.62 145.87 48.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.51 110.889 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 70.13 110.877 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.9 p90 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.989 0.424 . . . . 74.42 110.907 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -81.77 123.71 29.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 72.14 111.163 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -144.23 150.89 38.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.886 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 m -123.56 176.47 6.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.873 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -161.57 160.84 29.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 72.55 110.927 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -76.8 122.37 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 71.32 110.924 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 t -105.89 163.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.146 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.07 -153.07 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 64.03 112.443 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.72 78.83 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 74.44 110.872 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -175.3 32.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 75.11 110.882 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.79 -174.6 39.42 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.793 -0.718 . . . . 54.43 112.497 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -88.43 171.75 9.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.38 . . . . 75.32 110.839 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.9 t -147.86 141.44 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 74.35 111.162 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.0 t -136.5 123.19 21.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 71.04 110.889 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.5 mmm -137.7 147.11 44.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.915 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.819 -179.873 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.6 p90 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.932 0.396 . . . . 74.32 110.915 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -84.88 130.08 34.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 72.31 111.158 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -140.31 148.73 41.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 72.4 110.871 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -130.18 163.53 26.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.863 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -169.19 143.06 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 74.42 110.95 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 100.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 74.24 110.882 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 p -92.68 152.21 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 74.4 111.155 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 50.25 -156.95 2.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.732 . . . . 74.14 112.483 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -126.84 51.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 75.33 110.901 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -163.82 50.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.44 110.856 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.26 -174.08 15.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 61.35 112.522 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.51 155.92 39.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 74.52 110.874 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.0 p -122.87 157.89 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.01 111.15 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -134.08 130.97 38.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.895 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 19.8 mtp -144.94 147.44 32.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 75.34 110.863 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.837 -179.928 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.98 0.419 . . . . 72.52 110.931 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.6 m -92.92 104.63 16.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 73.43 111.157 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -148.81 144.95 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.886 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 m -137.7 141.34 41.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 62.32 110.87 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 24.0 p90 -148.66 161.45 41.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 72.12 110.912 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.91 84.62 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 73.15 110.909 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 p -99.33 150.79 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 70.43 111.118 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.98 -154.53 1.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 60.13 112.442 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.84 -170.63 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 71.4 110.882 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.5 t30 61.68 24.96 14.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 73.21 110.881 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.96 -173.73 15.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 71.43 112.497 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.1 mtm-85 -117.69 -178.7 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 74.51 110.869 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.3 p -116.77 157.81 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 74.43 111.203 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.47 97.83 2.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 71.11 110.895 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 17.5 mtt -76.08 148.82 37.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 70.41 110.881 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.892 -179.905 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.847 0.356 . . . . 75.13 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.38 -177.57 28.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 72.03 112.506 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.68 158.18 43.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 71.51 110.856 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -151.14 158.06 43.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 71.25 110.955 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.3 m -90.03 142.16 27.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 73.32 111.12 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -139.53 149.04 43.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.41 110.84 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -150.92 155.05 38.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 64.01 110.934 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.3 p90 -170.5 146.33 2.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 70.14 110.946 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -68.58 132.79 47.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.899 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.4 t -130.71 156.46 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 74.13 111.13 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.26 -156.52 1.58 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.72 . . . . 75.25 112.465 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -129.2 41.97 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 75.43 110.859 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -165.98 52.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 71.43 110.876 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.97 -174.12 16.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 71.31 112.489 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -128.7 179.31 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 75.12 110.889 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.9 t -140.24 143.25 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 75.23 111.139 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.68 135.9 53.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 60.31 110.904 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.2 ptm -128.1 147.78 50.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 75.22 110.873 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 -107.78 91.01 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 75.45 110.867 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.49 143.1 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 72.33 111.137 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.29 127.31 40.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 65.13 110.885 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 75.44 111.18 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.835 0.35 . . . . 74.32 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.84 -177.54 49.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 73.5 112.454 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.7 m -120.05 139.74 52.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.779 0.323 . . . . 63.51 110.914 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -154.65 158.02 39.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.924 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.9 m -94.72 139.2 31.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.24 111.156 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -137.45 146.49 44.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.854 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 m -122.44 172.18 8.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 63.25 110.866 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 23.8 p90 -153.2 164.21 38.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 75.53 110.923 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.56 98.15 6.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 73.35 110.877 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 t -80.28 162.55 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 75.42 111.124 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.95 -153.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.779 -0.724 . . . . 72.43 112.44 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.66 79.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 71.22 110.89 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -175.3 32.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 75.34 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.38 -174.6 37.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 71.42 112.536 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.7 mtm-85 -91.6 164.89 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 74.42 110.821 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.0 t -151.2 144.16 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 71.31 111.114 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.2 m -119.8 131.73 55.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 75.43 110.898 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -104.93 146.39 29.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 75.1 110.872 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.02 113.79 20.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.85 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.7 t -106.94 97.67 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 75.41 111.117 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -129.71 141.71 50.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.871 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 75.42 111.103 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 74.21 110.848 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.4 -177.55 46.53 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.725 -0.75 . . . . 72.42 112.452 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.1 m -116.13 139.42 50.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 73.54 110.897 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -119.99 158.03 27.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 74.11 110.964 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.9 m -86.1 129.86 34.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 75.54 111.205 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.3 mmt-85 -139.52 149.86 44.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 74.54 110.894 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 m -119.36 173.63 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.875 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 13.3 p90 -159.27 147.32 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 75.41 110.902 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.5 124.7 21.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 73.31 110.889 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 t -108.97 164.38 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 75.15 111.089 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.82 -154.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 73.12 112.505 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.84 78.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 73.4 110.897 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -175.42 32.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.882 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.78 -174.76 35.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 72.4 112.46 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -87.8 171.56 10.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 63.3 110.86 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 54.1 t -149.61 144.51 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.42 111.117 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 77.9 m -127.14 135.32 50.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 75.43 110.908 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.1 ptm -134.25 148.38 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 74.05 110.857 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -79.96 90.46 5.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 74.25 110.819 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.5 p -81.09 151.26 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 74.21 111.136 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -126.51 135.18 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 74.04 110.876 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 73.23 111.141 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.855 0.359 . . . . 74.34 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.7 -177.55 24.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 71.15 112.511 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.5 m -105.49 139.92 39.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 62.42 110.926 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -94.04 157.95 15.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 73.14 110.888 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.1 m -94.74 143.43 26.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 72.01 111.14 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.22 161.48 36.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.21 110.866 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.07 160.14 35.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 75.15 110.887 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 19.6 p90 -161.95 150.42 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.932 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -72.11 130.17 40.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 73.51 110.873 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.2 t -113.11 165.2 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 74.01 111.142 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.24 -150.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 52.45 112.525 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -70.15 77.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 71.13 110.902 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -175.31 32.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 72.2 110.871 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.63 -175.23 17.03 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.738 -0.744 . . . . 74.41 112.454 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -96.92 171.7 8.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 75.03 110.874 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -152.09 140.51 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 75.54 111.105 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 95.9 m -116.47 127.54 54.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 73.31 110.878 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -99.3 146.42 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 71.05 110.9 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -103.08 89.66 3.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.21 110.844 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 p -82.36 144.96 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 75.43 111.099 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.79 160.44 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.869 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 74.22 111.123 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.849 0.357 . . . . 74.3 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.95 -177.59 41.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 75.21 112.457 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.83 178.74 8.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.337 . . . . 63.14 110.913 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 63.56 158.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 73.22 110.901 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.9 m -75.71 124.77 27.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 72.24 111.137 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -137.74 143.47 41.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 73.14 110.818 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 m -138.18 137.37 37.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 72.42 110.858 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -145.93 144.04 29.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 74.53 110.903 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 126.36 30.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.885 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.9 t -125.42 157.76 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 75.33 111.086 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 50.97 -159.56 1.81 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 72.34 112.49 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -127.82 51.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.364 . . . . 74.42 110.87 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -163.71 50.65 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 72.14 110.861 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.22 -173.46 14.74 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 61.33 112.474 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 mpp_? -128.19 177.02 7.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 74.44 110.859 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -120.7 142.65 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 72.22 111.156 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.4 t -145.11 106.36 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.847 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 28.2 mmt -86.23 147.63 26.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 71.41 110.874 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -74.41 160.05 31.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 73.35 110.889 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.7 p -50.14 103.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 65.04 111.113 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 58.49 170.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 75.42 110.885 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 74.43 111.164 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.863 0.364 . . . . 73.02 110.878 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.52 -177.58 29.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 73.25 112.485 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.0 m -101.61 139.54 37.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 65.14 110.849 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -136.95 157.76 46.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 74.14 110.892 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.9 m -100.41 131.42 46.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 74.2 111.18 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -135.41 145.1 46.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 74.5 110.863 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 m -121.6 177.57 5.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 72.22 110.901 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 22.2 p90 -167.23 145.61 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.888 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.17 90.67 8.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 72.35 110.91 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.6 p -89.09 152.33 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 73.32 111.097 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.28 -160.35 1.84 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.787 -0.72 . . . . 72.43 112.446 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.42 51.79 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 74.02 110.876 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -163.42 50.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.861 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.97 -173.73 15.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.759 -0.734 . . . . 64.4 112.468 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -136.35 174.04 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.906 0.384 . . . . 72.41 110.849 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.8 t -151.67 142.67 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.3 111.123 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 t -122.14 147.27 46.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.905 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 11.9 ptt? -136.82 149.44 47.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 71.31 110.862 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.03 87.17 4.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 73.23 110.855 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.5 p -84.81 139.3 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 75.43 111.105 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.7 t -128.66 146.94 50.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 63.22 110.867 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 71.24 111.137 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.834 0.35 . . . . 74.33 110.858 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.02 -177.52 40.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.707 -0.758 . . . . 73.23 112.446 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 m -79.37 158.21 27.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 74.24 110.874 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -131.91 159.02 39.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 75.24 110.953 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -78.2 141.67 38.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 71.23 111.129 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.3 162.82 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 75.34 110.857 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -159.12 167.07 30.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 64.1 110.878 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -169.06 169.11 9.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.92 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -86.0 129.94 34.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 73.54 110.905 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.3 t -112.57 164.61 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 61.02 111.116 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.32 -150.21 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.745 -0.74 . . . . 53.55 112.475 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -70.04 77.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 75.51 110.865 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -175.33 32.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.892 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.06 -175.25 19.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 53.31 112.5 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 mtm-85 -90.13 172.37 8.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 74.52 110.906 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.5 t -151.3 128.41 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 75.51 111.099 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 57.5 m -119.32 120.3 36.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 71.12 110.852 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.5 mmt -123.62 145.87 48.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 73.51 110.889 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 -83.17 106.17 14.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 70.13 110.877 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.1 p -81.91 138.72 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.106 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.55 135.49 55.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.45 110.875 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 73.33 111.135 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 ptt85 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.86 0.362 . . . . 75.24 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -136.59 -177.56 15.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 63.25 112.473 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 56.94 177.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 75.21 110.91 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -172.97 158.05 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.907 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -81.77 123.71 29.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 72.14 111.163 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -144.23 150.89 38.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.886 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 m -123.56 176.47 6.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.873 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -161.57 160.84 29.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 72.55 110.927 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -76.8 122.37 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 71.32 110.924 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.6 t -105.89 163.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.146 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.07 -153.07 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 64.03 112.443 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.72 78.83 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 74.44 110.872 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -175.3 32.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 75.11 110.882 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.79 -174.6 39.42 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.793 -0.718 . . . . 54.43 112.497 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -88.43 171.75 9.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.38 . . . . 75.32 110.839 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 37.9 t -147.86 141.44 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 74.35 111.162 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.0 t -136.5 123.19 21.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 71.04 110.889 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.5 mmm -137.7 147.11 44.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 74.42 110.915 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -70.4 86.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.819 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.4 p -84.64 135.32 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 65.13 111.156 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 m -98.06 156.63 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.03 110.912 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 74.22 111.171 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.862 0.363 . . . . 71.12 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.98 -177.58 22.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 74.0 112.485 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.6 m -87.06 155.15 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 75.3 110.892 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -135.17 158.07 45.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 74.32 110.915 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -84.88 130.08 34.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 72.31 111.158 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -140.31 148.73 41.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 72.4 110.871 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -130.18 163.53 26.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.863 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -169.19 143.06 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 74.42 110.95 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 100.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 74.24 110.882 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.3 p -92.68 152.21 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 74.4 111.155 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 50.25 -156.95 2.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.732 . . . . 74.14 112.483 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -126.84 51.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 75.33 110.901 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -163.82 50.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.44 110.856 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.26 -174.08 15.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 61.35 112.522 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.51 155.92 39.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 74.52 110.874 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.0 p -122.87 157.89 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 74.01 111.15 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -134.08 130.97 38.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.895 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 19.8 mtp -144.94 147.44 32.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 75.34 110.863 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -85.43 89.66 7.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 74.22 110.837 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -82.01 140.47 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 74.34 111.128 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.81 130.84 49.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 70.52 110.888 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 72.35 111.168 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.846 0.355 . . . . 73.11 110.873 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.69 -177.53 18.69 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 72.22 112.462 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.81 153.95 30.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 73.01 110.923 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 63.25 158.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.52 110.931 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.6 m -92.92 104.63 16.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 73.43 111.157 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -148.81 144.95 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.886 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 m -137.7 141.34 41.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 62.32 110.87 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 24.0 p90 -148.66 161.45 41.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 72.12 110.912 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.91 84.62 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 73.15 110.909 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 p -99.33 150.79 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 70.43 111.118 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.98 -154.53 1.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 60.13 112.442 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.84 -170.63 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 71.4 110.882 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.5 t30 61.68 24.96 14.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 73.21 110.881 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.96 -173.73 15.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 71.43 112.497 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.1 mtm-85 -117.69 -178.7 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 74.51 110.869 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.3 p -116.77 157.81 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 74.43 111.203 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.47 97.83 2.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 71.11 110.895 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 17.5 mtt -76.08 148.82 37.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 70.41 110.881 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -100.77 160.88 14.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.892 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.6 p -49.5 159.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 74.34 111.144 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.9 m -49.53 105.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 70.04 110.859 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 74.04 111.133 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.909 0.385 . . . . 71.25 110.955 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.3 m -90.03 142.16 27.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 73.32 111.12 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -139.53 149.04 43.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.32 110.84 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -150.92 155.05 38.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 60.12 110.934 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.56 ' NE1' HG22 ' A' ' 10' ' ' VAL . 5.3 p90 -170.5 146.33 2.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 70.14 110.946 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -68.58 132.79 47.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.899 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.56 HG22 ' NE1' ' A' ' 8' ' ' TRP . 3.4 t -130.71 156.46 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 74.13 111.13 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.26 -156.52 1.58 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.72 . . . . 22.24 112.465 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -129.2 41.97 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 63.2 110.859 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -165.98 52.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 62.45 110.876 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.97 -174.12 16.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 71.31 112.489 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -128.7 179.31 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 72.12 110.889 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.443 ' HB ' HG21 ' A' ' 10' ' ' VAL . 46.9 t -140.24 143.25 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 31.01 111.139 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.68 135.9 53.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 60.31 110.904 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.2 ptm -128.1 147.78 50.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 75.22 110.873 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 75.21 110.867 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.957 0.408 . . . . 74.22 110.924 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.9 m -94.72 139.2 31.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.24 111.156 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -137.45 146.49 44.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.854 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 m -122.44 172.18 8.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 63.25 110.866 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.497 ' NE1' HG22 ' A' ' 10' ' ' VAL . 23.8 p90 -153.2 164.21 38.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 75.53 110.923 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.56 98.15 6.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 60.32 110.877 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.497 HG22 ' NE1' ' A' ' 8' ' ' TRP . 2.7 t -80.28 162.55 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 71.04 111.124 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.95 -153.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.779 -0.724 . . . . 63.13 112.44 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.66 79.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 71.22 110.89 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -175.3 32.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.43 110.902 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.38 -174.6 37.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 61.32 112.536 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.7 mtm-85 -91.6 164.89 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 74.42 110.821 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.0 t -151.2 144.16 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 63.24 111.114 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.2 m -119.8 131.73 55.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 52.32 110.898 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -104.93 146.39 29.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 71.13 110.872 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 72.23 110.85 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.4 p90 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.906 0.384 . . . . 71.02 110.964 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.9 m -86.1 129.86 34.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 75.54 111.205 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.3 mmt-85 -139.52 149.86 44.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 74.54 110.894 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 m -119.36 173.63 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.875 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 13.3 p90 -159.27 147.32 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 75.35 110.902 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.5 124.7 21.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 62.23 110.889 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.486 HG21 HG23 ' A' ' 16' ' ' VAL . 2.3 t -108.97 164.38 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 72.44 111.089 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.43 ' H ' HG12 ' A' ' 10' ' ' VAL . . . -61.82 -154.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 54.33 112.505 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.84 78.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 63.4 110.897 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -175.42 32.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.882 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.78 -174.76 35.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 72.4 112.46 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -87.8 171.56 10.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 63.3 110.86 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.486 HG23 HG21 ' A' ' 10' ' ' VAL . 54.1 t -149.61 144.51 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.42 111.117 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 77.9 m -127.14 135.32 50.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 72.35 110.908 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.1 ptm -134.25 148.38 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 62.24 110.857 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 61.24 110.819 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.975 0.417 . . . . 72.33 110.888 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.1 m -94.74 143.43 26.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 65.45 111.14 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.22 161.48 36.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 71.33 110.866 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.07 160.14 35.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 75.15 110.887 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 19.6 p90 -161.95 150.42 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.932 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -72.11 130.17 40.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 72.25 110.873 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.434 HG12 ' H ' ' A' ' 11' ' ' GLY . 2.2 t -113.11 165.2 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 61.2 111.142 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.434 ' H ' HG12 ' A' ' 10' ' ' VAL . . . -62.24 -150.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 23.05 112.525 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -70.15 77.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 71.13 110.902 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -175.31 32.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 72.2 110.871 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.63 -175.23 17.03 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.738 -0.744 . . . . 74.41 112.454 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -96.92 171.7 8.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 74.2 110.874 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -152.09 140.51 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 65.35 111.105 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 95.9 m -116.47 127.54 54.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 54.34 110.878 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -99.3 146.42 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 54.14 110.9 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.21 110.844 -179.873 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.009 0.433 . . . . 73.04 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.9 m -75.71 124.77 27.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 72.24 111.137 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -137.74 143.47 41.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 65.04 110.818 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 m -138.18 137.37 37.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 70.33 110.858 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -145.93 144.04 29.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.903 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 126.36 30.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.885 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.9 t -125.42 157.76 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 71.32 111.086 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 50.97 -159.56 1.81 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 72.11 112.49 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -127.82 51.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.364 . . . . 72.52 110.87 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -163.71 50.65 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 55.14 110.861 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.22 -173.46 14.74 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 61.33 112.474 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 mpp_? -128.19 177.02 7.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 62.04 110.859 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -120.7 142.65 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 72.22 111.156 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.4 t -145.11 106.36 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.847 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 28.2 mmt -86.23 147.63 26.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 70.44 110.874 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 53.21 110.889 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.7 p90 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.97 0.414 . . . . 62.04 110.892 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.9 m -100.41 131.42 46.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 74.2 111.18 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -135.41 145.1 46.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.863 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 m -121.6 177.57 5.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 63.12 110.901 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 22.2 p90 -167.23 145.61 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.888 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.17 90.67 8.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 63.21 110.91 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 11' ' ' GLY . 3.6 p -89.09 152.33 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 71.25 111.097 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.4 ' N ' HG22 ' A' ' 10' ' ' VAL . . . 51.28 -160.35 1.84 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.787 -0.72 . . . . 70.41 112.446 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.42 51.79 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 74.02 110.876 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -163.42 50.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.861 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.97 -173.73 15.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.759 -0.734 . . . . 64.1 112.468 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -136.35 174.04 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.906 0.384 . . . . 65.32 110.849 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.8 t -151.67 142.67 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.3 111.123 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 t -122.14 147.27 46.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.905 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 11.9 ptt? -136.82 149.44 47.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 42.13 110.862 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 73.23 110.855 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.96 0.409 . . . . 72.3 110.953 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -78.2 141.67 38.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 71.23 111.129 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.3 162.82 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 72.33 110.857 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -159.12 167.07 30.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 53.24 110.878 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -169.06 169.11 9.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.92 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -86.0 129.94 34.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 64.01 110.905 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 11' ' ' GLY . 2.3 t -112.57 164.61 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 61.02 111.116 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.429 ' H ' HG12 ' A' ' 10' ' ' VAL . . . -62.32 -150.21 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.745 -0.74 . . . . 53.55 112.475 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -70.04 77.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 73.52 110.865 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -175.33 32.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.892 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.06 -175.25 19.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 50.02 112.5 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 mtm-85 -90.13 172.37 8.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 62.4 110.906 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.5 t -151.3 128.41 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 71.23 111.099 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 57.5 m -119.32 120.3 36.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 53.13 110.852 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.5 mmt -123.62 145.87 48.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 70.23 110.889 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 63.01 110.877 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.9 p90 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.989 0.424 . . . . 74.13 110.907 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -81.77 123.71 29.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 53.13 111.163 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -144.23 150.89 38.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 51.24 110.886 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 m -123.56 176.47 6.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.873 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -161.57 160.84 29.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 65.13 110.927 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -76.8 122.37 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 71.32 110.924 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.513 HG21 ' CG2' ' A' ' 16' ' ' VAL . 2.6 t -105.89 163.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.146 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.406 ' N ' HG12 ' A' ' 10' ' ' VAL . . . -62.07 -153.07 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 64.03 112.443 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.72 78.83 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 72.42 110.872 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -175.3 32.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 71.23 110.882 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.79 -174.6 39.42 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.793 -0.718 . . . . 54.43 112.497 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -88.43 171.75 9.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.38 . . . . 70.11 110.839 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.513 ' CG2' HG21 ' A' ' 10' ' ' VAL . 37.9 t -147.86 141.44 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 74.35 111.162 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.0 t -136.5 123.19 21.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 60.41 110.889 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.5 mmm -137.7 147.11 44.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 71.14 110.915 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 62.41 110.819 -179.873 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.6 p90 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.932 0.396 . . . . 73.14 110.915 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -84.88 130.08 34.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 72.31 111.158 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -140.31 148.73 41.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 54.42 110.871 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -130.18 163.53 26.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.863 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -169.19 143.06 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 71.32 110.95 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 100.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 74.24 110.882 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 11' ' ' GLY . 4.3 p -92.68 152.21 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 74.4 111.155 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.403 ' N ' HG22 ' A' ' 10' ' ' VAL . . . 50.25 -156.95 2.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.732 . . . . 74.14 112.483 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -126.84 51.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 75.33 110.901 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -163.82 50.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.44 110.856 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.26 -174.08 15.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 61.35 112.522 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.51 155.92 39.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 74.52 110.874 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.0 p -122.87 157.89 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 61.11 111.15 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -134.08 130.97 38.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.895 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 19.8 mtp -144.94 147.44 32.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 75.34 110.863 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 62.42 110.837 -179.928 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.98 0.419 . . . . 72.52 110.931 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.6 m -92.92 104.63 16.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 64.25 111.157 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -148.81 144.95 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.886 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 m -137.7 141.34 41.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 62.32 110.87 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 24.0 p90 -148.66 161.45 41.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 72.12 110.912 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.91 84.62 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 53.4 110.909 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 p -99.33 150.79 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 70.43 111.118 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.98 -154.53 1.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 40.32 112.442 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.84 -170.63 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 71.4 110.882 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.5 t30 61.68 24.96 14.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 61.45 110.881 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.96 -173.73 15.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 71.43 112.497 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.1 mtm-85 -117.69 -178.7 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 74.5 110.869 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.3 p -116.77 157.81 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 74.43 111.203 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.47 97.83 2.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 71.11 110.895 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 17.5 mtt -76.08 148.82 37.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 53.31 110.881 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.892 -179.905 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.847 0.356 . . . . 50.41 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.38 -177.57 28.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 72.03 112.506 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.68 158.18 43.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 51.44 110.856 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -151.14 158.06 43.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 71.25 110.955 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.3 m -90.03 142.16 27.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 73.32 111.12 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -139.53 149.04 43.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.32 110.84 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -150.92 155.05 38.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 60.12 110.934 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.56 ' NE1' HG22 ' A' ' 10' ' ' VAL . 5.3 p90 -170.5 146.33 2.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 70.14 110.946 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -68.58 132.79 47.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.899 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.56 HG22 ' NE1' ' A' ' 8' ' ' TRP . 3.4 t -130.71 156.46 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 74.13 111.13 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.26 -156.52 1.58 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.72 . . . . 22.24 112.465 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -129.2 41.97 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 63.2 110.859 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -165.98 52.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 62.45 110.876 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.97 -174.12 16.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 71.31 112.489 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -128.7 179.31 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 72.12 110.889 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.443 ' HB ' HG21 ' A' ' 10' ' ' VAL . 46.9 t -140.24 143.25 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 31.01 111.139 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.68 135.9 53.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 60.31 110.904 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.2 ptm -128.1 147.78 50.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 75.22 110.873 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 -107.78 91.01 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 75.21 110.867 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.49 143.1 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 54.1 111.137 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.29 127.31 40.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 65.13 110.885 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 54.23 111.18 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.835 0.35 . . . . 53.42 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.84 -177.54 49.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 52.34 112.454 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.7 m -120.05 139.74 52.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.779 0.323 . . . . 54.53 110.914 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -154.65 158.02 39.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.924 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.9 m -94.72 139.2 31.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.24 111.156 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -137.45 146.49 44.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.854 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 m -122.44 172.18 8.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 63.25 110.866 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.497 ' NE1' HG22 ' A' ' 10' ' ' VAL . 23.8 p90 -153.2 164.21 38.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 75.53 110.923 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.56 98.15 6.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 60.32 110.877 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.497 HG22 ' NE1' ' A' ' 8' ' ' TRP . 2.7 t -80.28 162.55 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 71.04 111.124 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.95 -153.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.779 -0.724 . . . . 63.13 112.44 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.66 79.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 71.22 110.89 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -175.3 32.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.43 110.902 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.38 -174.6 37.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 61.32 112.536 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.7 mtm-85 -91.6 164.89 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 74.42 110.821 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.0 t -151.2 144.16 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 63.24 111.114 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.2 m -119.8 131.73 55.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 52.32 110.898 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -104.93 146.39 29.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 71.13 110.872 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.02 113.79 20.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 72.23 110.85 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.7 t -106.94 97.67 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 75.41 111.117 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -129.71 141.71 50.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.871 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 74.53 111.103 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 73.15 110.848 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.4 -177.55 46.53 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.725 -0.75 . . . . 72.21 112.452 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.1 m -116.13 139.42 50.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 73.54 110.897 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -119.99 158.03 27.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 71.02 110.964 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.9 m -86.1 129.86 34.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 75.54 111.205 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.3 mmt-85 -139.52 149.86 44.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 74.54 110.894 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 m -119.36 173.63 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.875 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 13.3 p90 -159.27 147.32 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 75.35 110.902 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.5 124.7 21.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 62.23 110.889 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.486 HG21 HG23 ' A' ' 16' ' ' VAL . 2.3 t -108.97 164.38 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 72.44 111.089 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.43 ' H ' HG12 ' A' ' 10' ' ' VAL . . . -61.82 -154.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 54.33 112.505 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.84 78.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 63.4 110.897 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -175.42 32.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.882 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.78 -174.76 35.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 72.4 112.46 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -87.8 171.56 10.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 63.3 110.86 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.486 HG23 HG21 ' A' ' 10' ' ' VAL . 54.1 t -149.61 144.51 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.42 111.117 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 77.9 m -127.14 135.32 50.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 72.35 110.908 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.1 ptm -134.25 148.38 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 62.24 110.857 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -79.96 90.46 5.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 61.24 110.819 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.5 p -81.09 151.26 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.23 111.136 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -126.51 135.18 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 74.04 110.876 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 73.23 111.141 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.855 0.359 . . . . 74.34 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.7 -177.55 24.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 64.11 112.511 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.5 m -105.49 139.92 39.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 62.42 110.926 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -94.04 157.95 15.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 72.33 110.888 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.1 m -94.74 143.43 26.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 65.45 111.14 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.22 161.48 36.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 71.33 110.866 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.07 160.14 35.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 75.15 110.887 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 19.6 p90 -161.95 150.42 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.932 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -72.11 130.17 40.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 72.25 110.873 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.434 HG12 ' H ' ' A' ' 11' ' ' GLY . 2.2 t -113.11 165.2 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 61.2 111.142 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.434 ' H ' HG12 ' A' ' 10' ' ' VAL . . . -62.24 -150.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 23.05 112.525 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -70.15 77.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 71.13 110.902 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -175.31 32.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 72.2 110.871 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.63 -175.23 17.03 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.738 -0.744 . . . . 74.41 112.454 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -96.92 171.7 8.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 74.2 110.874 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -152.09 140.51 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 65.35 111.105 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 95.9 m -116.47 127.54 54.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 54.34 110.878 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -99.3 146.42 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 54.14 110.9 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -103.08 89.66 3.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.21 110.844 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 p -82.36 144.96 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 52.21 111.099 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.79 160.44 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.869 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 72.22 111.123 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.849 0.357 . . . . 74.3 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.95 -177.59 41.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 54.45 112.457 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.83 178.74 8.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.337 . . . . 44.25 110.913 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 63.56 158.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.901 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.9 m -75.71 124.77 27.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 72.24 111.137 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -137.74 143.47 41.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 65.04 110.818 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 m -138.18 137.37 37.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 70.33 110.858 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -145.93 144.04 29.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.903 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 126.36 30.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.885 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.9 t -125.42 157.76 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 71.32 111.086 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 50.97 -159.56 1.81 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 72.11 112.49 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -127.82 51.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.364 . . . . 72.52 110.87 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -163.71 50.65 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 55.14 110.861 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.22 -173.46 14.74 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 61.33 112.474 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 mpp_? -128.19 177.02 7.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 62.04 110.859 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -120.7 142.65 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 72.22 111.156 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.4 t -145.11 106.36 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.847 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 28.2 mmt -86.23 147.63 26.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 70.44 110.874 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -74.41 160.05 31.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 53.21 110.889 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 20' ' ' VAL . 2.7 p -50.14 103.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 61.44 111.113 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 58.49 170.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 75.42 110.885 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 72.33 111.164 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.863 0.364 . . . . 63.13 110.878 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.52 -177.58 29.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 71.01 112.485 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.0 m -101.61 139.54 37.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 63.12 110.849 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -136.95 157.76 46.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 62.04 110.892 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.9 m -100.41 131.42 46.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 74.2 111.18 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -135.41 145.1 46.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.863 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 m -121.6 177.57 5.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 63.12 110.901 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 22.2 p90 -167.23 145.61 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.888 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.17 90.67 8.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 63.21 110.91 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 11' ' ' GLY . 3.6 p -89.09 152.33 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 71.25 111.097 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.4 ' N ' HG22 ' A' ' 10' ' ' VAL . . . 51.28 -160.35 1.84 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.787 -0.72 . . . . 70.41 112.446 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.42 51.79 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 74.02 110.876 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -163.42 50.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.861 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.97 -173.73 15.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.759 -0.734 . . . . 64.1 112.468 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -136.35 174.04 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.906 0.384 . . . . 65.32 110.849 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.8 t -151.67 142.67 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.3 111.123 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 t -122.14 147.27 46.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.905 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 11.9 ptt? -136.82 149.44 47.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 42.13 110.862 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.03 87.17 4.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 73.23 110.855 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.5 p -84.81 139.3 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 53.13 111.105 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.7 t -128.66 146.94 50.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 63.22 110.867 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 70.54 111.137 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.834 0.35 . . . . 72.15 110.858 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.02 -177.52 40.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.707 -0.758 . . . . 63.33 112.446 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 m -79.37 158.21 27.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 72.31 110.874 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -131.91 159.02 39.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 72.3 110.953 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -78.2 141.67 38.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 71.23 111.129 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.3 162.82 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 72.33 110.857 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -159.12 167.07 30.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 53.24 110.878 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -169.06 169.11 9.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.92 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -86.0 129.94 34.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 64.01 110.905 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 11' ' ' GLY . 2.3 t -112.57 164.61 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 61.02 111.116 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.429 ' H ' HG12 ' A' ' 10' ' ' VAL . . . -62.32 -150.21 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.745 -0.74 . . . . 53.55 112.475 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -70.04 77.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 73.52 110.865 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -175.33 32.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.892 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.06 -175.25 19.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 50.02 112.5 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 mtm-85 -90.13 172.37 8.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 62.4 110.906 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.5 t -151.3 128.41 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 71.23 111.099 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 57.5 m -119.32 120.3 36.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 53.13 110.852 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.5 mmt -123.62 145.87 48.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 70.23 110.889 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 -83.17 106.17 14.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 63.01 110.877 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.1 p -81.91 138.72 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.106 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.55 135.49 55.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.875 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 71.3 111.135 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 ptt85 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.86 0.362 . . . . 75.24 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -136.59 -177.56 15.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 63.25 112.473 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 56.94 177.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 75.21 110.91 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -172.97 158.05 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.907 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -81.77 123.71 29.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 53.13 111.163 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.668 ' HB2' HG12 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -144.23 150.89 38.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 51.24 110.886 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 m -123.56 176.47 6.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.873 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -161.57 160.84 29.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 65.13 110.927 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -76.8 122.37 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 71.32 110.924 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.513 HG21 ' CG2' ' A' ' 16' ' ' VAL . 2.6 t -105.89 163.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.146 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.406 ' N ' HG12 ' A' ' 10' ' ' VAL . . . -62.07 -153.07 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 64.03 112.443 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.72 78.83 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 72.42 110.872 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -175.3 32.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 71.23 110.882 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.79 -174.6 39.42 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.793 -0.718 . . . . 54.43 112.497 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -88.43 171.75 9.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.38 . . . . 70.11 110.839 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.513 ' CG2' HG21 ' A' ' 10' ' ' VAL . 37.9 t -147.86 141.44 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 74.35 111.162 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.0 t -136.5 123.19 21.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 60.41 110.889 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.5 mmm -137.7 147.11 44.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 71.14 110.915 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -70.4 86.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 62.41 110.819 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.668 HG12 ' HB2' ' A' ' 6' ' ' ARG . 9.4 p -84.64 135.32 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 44.0 111.156 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 m -98.06 156.63 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 54.23 110.912 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 74.15 111.171 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.862 0.363 . . . . 51.23 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.98 -177.58 22.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 51.44 112.485 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.6 m -87.06 155.15 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 75.3 110.892 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -135.17 158.07 45.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 73.14 110.915 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -84.88 130.08 34.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 72.31 111.158 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -140.31 148.73 41.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 54.42 110.871 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -130.18 163.53 26.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.863 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -169.19 143.06 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 71.32 110.95 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 100.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 74.24 110.882 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 11' ' ' GLY . 4.3 p -92.68 152.21 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 74.4 111.155 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.403 ' N ' HG22 ' A' ' 10' ' ' VAL . . . 50.25 -156.95 2.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.732 . . . . 74.14 112.483 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -126.84 51.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 75.33 110.901 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -163.82 50.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.44 110.856 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.26 -174.08 15.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 61.35 112.522 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.51 155.92 39.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 74.52 110.874 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.0 p -122.87 157.89 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 61.11 111.15 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -134.08 130.97 38.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.895 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 19.8 mtp -144.94 147.44 32.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 75.34 110.863 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -85.43 89.66 7.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 62.42 110.837 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -82.01 140.47 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 63.41 111.128 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.81 130.84 49.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 63.45 110.888 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 65.25 111.168 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.846 0.355 . . . . 64.02 110.873 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.69 -177.53 18.69 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 34.41 112.462 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.81 153.95 30.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 73.01 110.923 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 63.25 158.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.52 110.931 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.6 m -92.92 104.63 16.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 64.25 111.157 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -148.81 144.95 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.886 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 m -137.7 141.34 41.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 62.32 110.87 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 24.0 p90 -148.66 161.45 41.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 72.12 110.912 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.91 84.62 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 53.4 110.909 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 p -99.33 150.79 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 70.43 111.118 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.98 -154.53 1.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 40.32 112.442 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.84 -170.63 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 71.4 110.882 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.5 t30 61.68 24.96 14.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 61.45 110.881 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.96 -173.73 15.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 71.43 112.497 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.1 mtm-85 -117.69 -178.7 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 74.5 110.869 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.3 p -116.77 157.81 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 74.43 111.203 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.47 97.83 2.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 71.11 110.895 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 17.5 mtt -76.08 148.82 37.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 53.31 110.881 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -100.77 160.88 14.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.892 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 21' ' ' CYS . 9.6 p -49.5 159.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 74.34 111.144 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.418 ' N ' HG22 ' A' ' 20' ' ' VAL . 18.9 m -49.53 105.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 34.52 110.859 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 74.04 111.133 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.909 0.385 . . . . 71.25 110.955 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.3 m -90.03 142.16 27.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 73.32 111.12 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -139.53 149.04 43.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.32 110.84 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -150.92 155.05 38.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 60.12 110.934 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.56 ' NE1' HG22 ' A' ' 10' ' ' VAL . 5.3 p90 -170.5 146.33 2.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 70.14 110.946 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -68.58 132.79 47.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.899 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.56 HG22 ' NE1' ' A' ' 8' ' ' TRP . 3.4 t -130.71 156.46 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 74.13 111.13 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.26 -156.52 1.58 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.72 . . . . 22.24 112.465 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -129.2 41.97 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 63.2 110.859 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -165.98 52.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 62.45 110.876 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.97 -174.12 16.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 71.31 112.489 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -128.7 179.31 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 72.12 110.889 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.443 ' HB ' HG21 ' A' ' 10' ' ' VAL . 46.9 t -140.24 143.25 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 31.01 111.139 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.68 135.9 53.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 60.31 110.904 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.2 ptm -128.1 147.78 50.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 75.22 110.873 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 75.21 110.867 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.7 p90 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.957 0.408 . . . . 74.22 110.924 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.9 m -94.72 139.2 31.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.24 111.156 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -137.45 146.49 44.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.854 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 m -122.44 172.18 8.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 63.25 110.866 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.497 ' NE1' HG22 ' A' ' 10' ' ' VAL . 23.8 p90 -153.2 164.21 38.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 75.53 110.923 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.56 98.15 6.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 60.32 110.877 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.497 HG22 ' NE1' ' A' ' 8' ' ' TRP . 2.7 t -80.28 162.55 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 71.04 111.124 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.95 -153.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.779 -0.724 . . . . 63.13 112.44 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.66 79.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 71.22 110.89 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -175.3 32.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.43 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.38 -174.6 37.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 61.32 112.536 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.7 mtm-85 -91.6 164.89 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 74.42 110.821 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.0 t -151.2 144.16 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 63.24 111.114 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.2 m -119.8 131.73 55.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 52.32 110.898 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -104.93 146.39 29.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 71.13 110.872 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 72.23 110.85 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.4 p90 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.906 0.384 . . . . 71.02 110.964 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.9 m -86.1 129.86 34.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 75.54 111.205 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.3 mmt-85 -139.52 149.86 44.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 74.54 110.894 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 m -119.36 173.63 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.875 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 13.3 p90 -159.27 147.32 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 75.35 110.902 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.5 124.7 21.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 62.23 110.889 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.486 HG21 HG23 ' A' ' 16' ' ' VAL . 2.3 t -108.97 164.38 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 72.44 111.089 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.43 ' H ' HG12 ' A' ' 10' ' ' VAL . . . -61.82 -154.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 54.33 112.505 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.84 78.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 63.4 110.897 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -175.42 32.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.882 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.78 -174.76 35.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 72.4 112.46 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -87.8 171.56 10.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 63.3 110.86 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.486 HG23 HG21 ' A' ' 10' ' ' VAL . 54.1 t -149.61 144.51 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.42 111.117 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 77.9 m -127.14 135.32 50.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 72.35 110.908 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.1 ptm -134.25 148.38 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 62.24 110.857 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 61.24 110.819 -179.888 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.975 0.417 . . . . 72.33 110.888 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.1 m -94.74 143.43 26.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 65.45 111.14 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.22 161.48 36.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 71.33 110.866 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.07 160.14 35.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 75.15 110.887 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 19.6 p90 -161.95 150.42 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.932 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -72.11 130.17 40.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 72.25 110.873 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.434 HG12 ' H ' ' A' ' 11' ' ' GLY . 2.2 t -113.11 165.2 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 61.2 111.142 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.434 ' H ' HG12 ' A' ' 10' ' ' VAL . . . -62.24 -150.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 23.05 112.525 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -70.15 77.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 71.13 110.902 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -175.31 32.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 72.2 110.871 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.63 -175.23 17.03 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.738 -0.744 . . . . 74.41 112.454 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -96.92 171.7 8.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 74.2 110.874 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -152.09 140.51 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 65.35 111.105 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 95.9 m -116.47 127.54 54.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 54.34 110.878 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -99.3 146.42 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 54.14 110.9 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.21 110.844 -179.873 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.009 0.433 . . . . 73.04 110.901 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.9 m -75.71 124.77 27.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 72.24 111.137 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -137.74 143.47 41.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 65.04 110.818 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 m -138.18 137.37 37.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 70.33 110.858 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -145.93 144.04 29.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.903 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 126.36 30.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.885 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.9 t -125.42 157.76 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 71.32 111.086 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 50.97 -159.56 1.81 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 72.11 112.49 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -127.82 51.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.364 . . . . 72.52 110.87 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -163.71 50.65 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 55.14 110.861 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.22 -173.46 14.74 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 61.33 112.474 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 mpp_? -128.19 177.02 7.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 62.04 110.859 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -120.7 142.65 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 72.22 111.156 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.4 t -145.11 106.36 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.847 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 28.2 mmt -86.23 147.63 26.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 70.44 110.874 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 53.21 110.889 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.7 p90 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.97 0.414 . . . . 62.04 110.892 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.9 m -100.41 131.42 46.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 74.2 111.18 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -135.41 145.1 46.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.863 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 m -121.6 177.57 5.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 63.12 110.901 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 22.2 p90 -167.23 145.61 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.888 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.17 90.67 8.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 63.21 110.91 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 11' ' ' GLY . 3.6 p -89.09 152.33 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 71.25 111.097 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.4 ' N ' HG22 ' A' ' 10' ' ' VAL . . . 51.28 -160.35 1.84 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.787 -0.72 . . . . 70.41 112.446 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.42 51.79 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 74.02 110.876 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -163.42 50.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.861 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.97 -173.73 15.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.759 -0.734 . . . . 64.1 112.468 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -136.35 174.04 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.906 0.384 . . . . 65.32 110.849 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.8 t -151.67 142.67 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.3 111.123 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 t -122.14 147.27 46.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.905 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 11.9 ptt? -136.82 149.44 47.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 42.13 110.862 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 73.23 110.855 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.96 0.409 . . . . 72.3 110.953 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -78.2 141.67 38.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 71.23 111.129 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.3 162.82 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 72.33 110.857 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -159.12 167.07 30.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 53.24 110.878 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -169.06 169.11 9.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.92 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -86.0 129.94 34.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 64.01 110.905 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 11' ' ' GLY . 2.3 t -112.57 164.61 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 61.02 111.116 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.429 ' H ' HG12 ' A' ' 10' ' ' VAL . . . -62.32 -150.21 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.745 -0.74 . . . . 53.55 112.475 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -70.04 77.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 73.52 110.865 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -175.33 32.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.892 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.06 -175.25 19.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 50.02 112.5 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 mtm-85 -90.13 172.37 8.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 62.4 110.906 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.5 t -151.3 128.41 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 71.23 111.099 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 57.5 m -119.32 120.3 36.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 53.13 110.852 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.5 mmt -123.62 145.87 48.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 70.23 110.889 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 63.01 110.877 -179.943 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.9 p90 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.989 0.424 . . . . 74.13 110.907 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -81.77 123.71 29.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 53.13 111.163 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -144.23 150.89 38.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 51.24 110.886 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 m -123.56 176.47 6.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.873 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -161.57 160.84 29.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 65.13 110.927 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -76.8 122.37 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 71.32 110.924 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.513 HG21 ' CG2' ' A' ' 16' ' ' VAL . 2.6 t -105.89 163.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.146 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.406 ' N ' HG12 ' A' ' 10' ' ' VAL . . . -62.07 -153.07 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 64.03 112.443 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.72 78.83 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 72.42 110.872 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -175.3 32.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 71.23 110.882 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.79 -174.6 39.42 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.793 -0.718 . . . . 54.43 112.497 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -88.43 171.75 9.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.38 . . . . 70.11 110.839 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.513 ' CG2' HG21 ' A' ' 10' ' ' VAL . 37.9 t -147.86 141.44 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 74.35 111.162 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.0 t -136.5 123.19 21.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 60.41 110.889 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.5 mmm -137.7 147.11 44.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 71.14 110.915 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 62.41 110.819 -179.873 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.6 p90 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.932 0.396 . . . . 73.14 110.915 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -84.88 130.08 34.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 72.31 111.158 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -140.31 148.73 41.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 54.42 110.871 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -130.18 163.53 26.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.863 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -169.19 143.06 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 71.32 110.95 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 100.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 74.24 110.882 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 11' ' ' GLY . 4.3 p -92.68 152.21 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 74.4 111.155 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.403 ' N ' HG22 ' A' ' 10' ' ' VAL . . . 50.25 -156.95 2.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.732 . . . . 74.14 112.483 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -126.84 51.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 75.33 110.901 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -163.82 50.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.44 110.856 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.26 -174.08 15.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 61.35 112.522 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.51 155.92 39.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 74.52 110.874 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.0 p -122.87 157.89 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 61.11 111.15 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -134.08 130.97 38.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.895 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 19.8 mtp -144.94 147.44 32.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 75.34 110.863 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 62.42 110.837 -179.928 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.98 0.419 . . . . 72.52 110.931 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.6 m -92.92 104.63 16.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 64.25 111.157 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -148.81 144.95 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.886 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 m -137.7 141.34 41.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 62.32 110.87 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 24.0 p90 -148.66 161.45 41.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 72.12 110.912 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.91 84.62 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 53.4 110.909 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 p -99.33 150.79 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 70.43 111.118 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.98 -154.53 1.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 40.32 112.442 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.84 -170.63 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 71.4 110.882 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.5 t30 61.68 24.96 14.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 61.45 110.881 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.96 -173.73 15.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 71.43 112.497 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.1 mtm-85 -117.69 -178.7 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 74.5 110.869 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.3 p -116.77 157.81 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 74.43 111.203 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.47 97.83 2.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 71.11 110.895 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 17.5 mtt -76.08 148.82 37.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 53.31 110.881 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.892 -179.905 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.847 0.356 . . . . 50.41 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 150.38 -177.57 28.38 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 72.03 112.506 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.68 158.18 43.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.896 0.379 . . . . 51.44 110.856 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -151.14 158.06 43.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 71.25 110.955 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 91.3 m -90.03 142.16 27.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 73.32 111.12 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.9 mtp85 -139.53 149.04 43.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 71.32 110.84 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -150.92 155.05 38.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 60.12 110.934 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.56 ' NE1' HG22 ' A' ' 10' ' ' VAL . 5.3 p90 -170.5 146.33 2.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 70.14 110.946 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt -68.58 132.79 47.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 73.33 110.899 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.56 HG22 ' NE1' ' A' ' 8' ' ' TRP . 3.4 t -130.71 156.46 42.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 74.13 111.13 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 49.26 -156.52 1.58 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.789 -0.72 . . . . 22.24 112.465 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -129.2 41.97 3.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 63.2 110.859 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -165.98 52.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 62.45 110.876 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.97 -174.12 16.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 71.31 112.489 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -128.7 179.31 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.818 0.342 . . . . 72.12 110.889 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.443 ' HB ' HG21 ' A' ' 10' ' ' VAL . 46.9 t -140.24 143.25 29.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 31.01 111.139 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -117.68 135.9 53.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 60.31 110.904 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.2 ptm -128.1 147.78 50.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 75.22 110.873 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 -107.78 91.01 3.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 75.21 110.867 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.49 143.1 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 54.1 111.137 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.29 127.31 40.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 65.13 110.885 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 54.23 111.18 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.3 mtt180 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.835 0.35 . . . . 53.42 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.84 -177.54 49.65 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.753 -0.737 . . . . 52.34 112.454 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 25.7 m -120.05 139.74 52.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.779 0.323 . . . . 54.53 110.914 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -154.65 158.02 39.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 74.22 110.924 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.9 m -94.72 139.2 31.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 74.24 111.156 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -137.45 146.49 44.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 75.21 110.854 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 m -122.44 172.18 8.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 63.25 110.866 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.497 ' NE1' HG22 ' A' ' 10' ' ' VAL . 23.8 p90 -153.2 164.21 38.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 75.53 110.923 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.56 98.15 6.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.427 . . . . 60.32 110.877 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.497 HG22 ' NE1' ' A' ' 8' ' ' TRP . 2.7 t -80.28 162.55 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 71.04 111.124 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.95 -153.99 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.779 -0.724 . . . . 63.13 112.44 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.66 79.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.831 0.348 . . . . 71.22 110.89 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -175.3 32.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.43 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.38 -174.6 37.96 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.712 -0.756 . . . . 61.32 112.536 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 52.7 mtm-85 -91.6 164.89 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 74.42 110.821 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.0 t -151.2 144.16 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 63.24 111.114 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 61.2 m -119.8 131.73 55.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 52.32 110.898 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.6 ptt? -104.93 146.39 29.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 71.13 110.872 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.02 113.79 20.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 72.23 110.85 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.7 t -106.94 97.67 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 75.41 111.117 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.8 t -129.71 141.71 50.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 71.44 110.871 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 74.53 111.103 -179.956 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.839 0.352 . . . . 73.15 110.848 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.4 -177.55 46.53 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.725 -0.75 . . . . 72.21 112.452 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.1 m -116.13 139.42 50.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 73.54 110.897 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -119.99 158.03 27.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 71.02 110.964 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.9 m -86.1 129.86 34.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 75.54 111.205 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 23.3 mmt-85 -139.52 149.86 44.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 74.54 110.894 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.7 m -119.36 173.63 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.875 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 13.3 p90 -159.27 147.32 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 75.35 110.902 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.5 124.7 21.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 62.23 110.889 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.486 HG21 HG23 ' A' ' 16' ' ' VAL . 2.3 t -108.97 164.38 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 72.44 111.089 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.43 ' H ' HG12 ' A' ' 10' ' ' VAL . . . -61.82 -154.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 54.33 112.505 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.84 78.43 0.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.79 0.329 . . . . 63.4 110.897 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -175.42 32.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.882 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.78 -174.76 35.55 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 72.4 112.46 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -87.8 171.56 10.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.867 0.365 . . . . 63.3 110.86 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.486 HG23 HG21 ' A' ' 10' ' ' VAL . 54.1 t -149.61 144.51 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 74.42 111.117 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 77.9 m -127.14 135.32 50.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 72.35 110.908 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.1 ptm -134.25 148.38 50.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 62.24 110.857 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -79.96 90.46 5.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 61.24 110.819 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.5 p -81.09 151.26 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 72.23 111.136 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -126.51 135.18 50.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 74.04 110.876 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 73.23 111.141 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.855 0.359 . . . . 74.34 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 103.7 -177.55 24.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 64.11 112.511 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.5 m -105.49 139.92 39.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 62.42 110.926 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -94.04 157.95 15.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 72.33 110.888 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.1 m -94.74 143.43 26.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.071 -0.513 . . . . 65.45 111.14 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.22 161.48 36.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 71.33 110.866 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -159.07 160.14 35.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 75.15 110.887 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 19.6 p90 -161.95 150.42 15.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 74.13 110.932 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -72.11 130.17 40.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 72.25 110.873 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.434 HG12 ' H ' ' A' ' 11' ' ' GLY . 2.2 t -113.11 165.2 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 61.2 111.142 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.434 ' H ' HG12 ' A' ' 10' ' ' VAL . . . -62.24 -150.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.729 . . . . 23.05 112.525 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 28.7 mtt180 -70.15 77.15 0.51 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.341 . . . . 71.13 110.902 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -175.31 32.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 72.2 110.871 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.63 -175.23 17.03 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.738 -0.744 . . . . 74.41 112.454 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.1 mtm180 -96.92 171.7 8.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.879 0.371 . . . . 74.2 110.874 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.9 t -152.09 140.51 14.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 65.35 111.105 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 95.9 m -116.47 127.54 54.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 54.34 110.878 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -99.3 146.42 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 54.14 110.9 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 ptt180 -103.08 89.66 3.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 74.21 110.844 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.0 p -82.36 144.96 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 52.21 111.099 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.79 160.44 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 75.41 110.869 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 72.22 111.123 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.849 0.357 . . . . 74.3 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 166.95 -177.59 41.58 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 54.45 112.457 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.83 178.74 8.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.337 . . . . 44.25 110.913 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 63.56 158.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 73.04 110.901 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.9 m -75.71 124.77 27.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 72.24 111.137 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 mtm180 -137.74 143.47 41.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 65.04 110.818 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.3 m -138.18 137.37 37.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 70.33 110.858 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 21.0 p90 -145.93 144.04 29.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 74.32 110.903 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 126.36 30.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 73.43 110.885 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.9 t -125.42 157.76 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 71.32 111.086 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 50.97 -159.56 1.81 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 72.11 112.49 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.9 mtm-85 -127.82 51.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.364 . . . . 72.52 110.87 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -163.71 50.65 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 55.14 110.861 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.22 -173.46 14.74 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 61.33 112.474 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 mpp_? -128.19 177.02 7.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 62.04 110.859 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 39.5 t -120.7 142.65 35.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 72.22 111.156 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.4 t -145.11 106.36 4.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 71.52 110.847 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 28.2 mmt -86.23 147.63 26.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 70.44 110.874 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -74.41 160.05 31.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 53.21 110.889 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.461 HG13 ' O ' ' A' ' 20' ' ' VAL . 2.7 p -50.14 103.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 61.44 111.113 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 58.49 170.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 75.42 110.885 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.8 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 72.33 111.164 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.863 0.364 . . . . 63.13 110.878 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.52 -177.58 29.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.757 -0.735 . . . . 71.01 112.485 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.0 m -101.61 139.54 37.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 63.12 110.849 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -136.95 157.76 46.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 62.04 110.892 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.9 m -100.41 131.42 46.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 74.2 111.18 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 mmm180 -135.41 145.1 46.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 74.41 110.863 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 m -121.6 177.57 5.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 63.12 110.901 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 22.2 p90 -167.23 145.61 4.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 74.11 110.888 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.17 90.67 8.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 63.21 110.91 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.4 HG22 ' N ' ' A' ' 11' ' ' GLY . 3.6 p -89.09 152.33 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 71.25 111.097 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.4 ' N ' HG22 ' A' ' 10' ' ' VAL . . . 51.28 -160.35 1.84 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.787 -0.72 . . . . 70.41 112.446 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.42 51.79 2.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 74.02 110.876 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -163.42 50.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.01 110.861 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 119.97 -173.73 15.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.759 -0.734 . . . . 64.1 112.468 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.1 mtm180 -136.35 174.04 11.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.906 0.384 . . . . 65.32 110.849 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 43.8 t -151.67 142.67 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.3 111.123 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.9 t -122.14 147.27 46.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 73.44 110.905 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 11.9 ptt? -136.82 149.44 47.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 42.13 110.862 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.03 87.17 4.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 73.23 110.855 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 8.5 p -84.81 139.3 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 53.13 111.105 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.7 t -128.66 146.94 50.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 63.22 110.867 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 70.54 111.137 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.834 0.35 . . . . 72.15 110.858 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 165.02 -177.52 40.47 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.707 -0.758 . . . . 63.33 112.446 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 m -79.37 158.21 27.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 72.31 110.874 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -131.91 159.02 39.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 72.3 110.953 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -78.2 141.67 38.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 71.23 111.129 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -139.3 162.82 34.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 72.33 110.857 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -159.12 167.07 30.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 53.24 110.878 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -169.06 169.11 9.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.92 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -86.0 129.94 34.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 64.01 110.905 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 11' ' ' GLY . 2.3 t -112.57 164.61 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 61.02 111.116 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.429 ' H ' HG12 ' A' ' 10' ' ' VAL . . . -62.32 -150.21 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.745 -0.74 . . . . 53.55 112.475 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -70.04 77.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 73.52 110.865 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -175.33 32.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.43 110.892 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 66.06 -175.25 19.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 50.02 112.5 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.2 mtm-85 -90.13 172.37 8.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.866 0.365 . . . . 62.4 110.906 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.5 t -151.3 128.41 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 71.23 111.099 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 57.5 m -119.32 120.3 36.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 53.13 110.852 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.5 mmt -123.62 145.87 48.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 70.23 110.889 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.1 mtm-85 -83.17 106.17 14.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 63.01 110.877 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.1 p -81.91 138.72 19.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 74.24 111.106 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -120.55 135.49 55.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 73.35 110.875 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 71.3 111.135 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.8 ptt85 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.86 0.362 . . . . 75.24 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -136.59 -177.56 15.11 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 63.25 112.473 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 56.94 177.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 75.21 110.91 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -172.97 158.05 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.907 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -81.77 123.71 29.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 53.13 111.163 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.668 ' HB2' HG12 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -144.23 150.89 38.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 51.24 110.886 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.4 m -123.56 176.47 6.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.873 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -161.57 160.84 29.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 65.13 110.927 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.4 mttt -76.8 122.37 24.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 71.32 110.924 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.513 HG21 ' CG2' ' A' ' 16' ' ' VAL . 2.6 t -105.89 163.07 4.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.146 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.406 ' N ' HG12 ' A' ' 10' ' ' VAL . . . -62.07 -153.07 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 64.03 112.443 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.72 78.83 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 72.42 110.872 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -175.3 32.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 71.23 110.882 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 70.79 -174.6 39.42 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.793 -0.718 . . . . 54.43 112.497 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -88.43 171.75 9.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.899 0.38 . . . . 70.11 110.839 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.513 ' CG2' HG21 ' A' ' 10' ' ' VAL . 37.9 t -147.86 141.44 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 74.35 111.162 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.0 t -136.5 123.19 21.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 60.41 110.889 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.5 mmm -137.7 147.11 44.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 71.14 110.915 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -70.4 86.83 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 62.41 110.819 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.668 HG12 ' HB2' ' A' ' 6' ' ' ARG . 9.4 p -84.64 135.32 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 44.0 111.156 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.1 m -98.06 156.63 16.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 54.23 110.912 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.9 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 74.15 111.171 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 . . . . . 0 CA--C 1.526 0.056 0 CA-C-O 120.862 0.363 . . . . 51.23 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.98 -177.58 22.57 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 51.44 112.485 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.6 m -87.06 155.15 20.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 75.3 110.892 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -135.17 158.07 45.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 73.14 110.915 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.0 m -84.88 130.08 34.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 72.31 111.158 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -140.31 148.73 41.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 54.42 110.871 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.9 m -130.18 163.53 26.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 75.33 110.863 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -169.19 143.06 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 71.32 110.95 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.45 100.84 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 74.24 110.882 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 11' ' ' GLY . 4.3 p -92.68 152.21 3.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 74.4 111.155 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.403 ' N ' HG22 ' A' ' 10' ' ' VAL . . . 50.25 -156.95 2.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.732 . . . . 74.14 112.483 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -126.84 51.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 75.33 110.901 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -163.82 50.64 0.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 75.44 110.856 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.26 -174.08 15.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 61.35 112.522 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -125.51 155.92 39.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 74.52 110.874 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.0 p -122.87 157.89 27.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 61.11 111.15 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -134.08 130.97 38.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.44 110.895 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 19.8 mtp -144.94 147.44 32.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 75.34 110.863 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -85.43 89.66 7.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 62.42 110.837 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -82.01 140.47 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 63.41 111.128 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.81 130.84 49.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 63.45 110.888 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 65.25 111.168 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.846 0.355 . . . . 64.02 110.873 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.69 -177.53 18.69 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.742 -0.742 . . . . 34.41 112.462 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -155.81 153.95 30.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 73.01 110.923 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 63.25 158.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 72.52 110.931 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 93.6 m -92.92 104.63 16.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.114 -0.493 . . . . 64.25 111.157 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 27.3 mtp180 -148.81 144.95 27.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 72.21 110.886 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.1 m -137.7 141.34 41.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 62.32 110.87 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 24.0 p90 -148.66 161.45 41.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 72.12 110.912 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.91 84.62 7.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 53.4 110.909 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.1 p -99.33 150.79 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 70.43 111.118 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 47.98 -154.53 1.46 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 40.32 112.442 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.84 -170.63 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 71.4 110.882 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 57.5 t30 61.68 24.96 14.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 61.45 110.881 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.96 -173.73 15.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.733 -0.746 . . . . 71.43 112.497 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 47.1 mtm-85 -117.69 -178.7 3.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 74.5 110.869 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 9.3 p -116.77 157.81 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 74.43 111.203 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.47 97.83 2.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 71.11 110.895 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 17.5 mtt -76.08 148.82 37.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 53.31 110.881 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -100.77 160.88 14.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.892 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 21' ' ' CYS . 9.6 p -49.5 159.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 74.34 111.144 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.418 ' N ' HG22 ' A' ' 20' ' ' VAL . 18.9 m -49.53 105.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 34.52 110.859 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 74.04 111.133 -179.972 . . . . . . . . 0 0 . 1 stop_ save_